(3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

C97H115N31O7S6 — CID 163474962

IUPAC(3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
SMILESCC(CO)(CO)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CC1(CNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)COC1.C[C@@H](CCO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.C[C@@H]1CN(CCNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)C[C@@H](C)O1.Nc1cc(NC(CCO)c2ccccc2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(NCC2CCOCC2)c2sc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C19H19N5OS.C18H24N6OS.C16H19N5OS.C15H19N5O2S.C15H17N5OS.C14H17N5OS/c20-18-11-16(22-13(7-9-25)12-4-2-1-3-5-12)19-15(23-18)10-17(26-19)14-6-8-21-24-14;1-11-9-24(10-12(2)25-11)6-5-20-14-8-17(19)22-15-7-16(26-18(14)15)13-3-4-21-23-13;17-15-8-12(18-9-10-2-5-22-6-3-10)16-13(20-15)7-14(23-16)11-1-4-19-21-11;1-15(7-21,8-22)6-17-10-5-13(16)19-11-4-12(23-14(10)11)9-2-3-18-20-9;1-15(7-21-8-15)6-17-10-5-13(16)19-11-4-12(22-14(10)11)9-2-3-18-20-9;1-8(3-5-20)17-11-7-13(15)18-10-6-12(21-14(10)11)9-2-4-16-19-9/h1-6,8,10-11,13,25H,7,9H2,(H,21,24)(H3,20,22,23);3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,21,23)(H3,19,20,22);1,4,7-8,10H,2-3,5-6,9H2,(H,19,21)(H3,17,18,20);2-5,21-22H,6-8H2,1H3,(H,18,20)(H3,16,17,19);2-5H,6-8H2,1H3,(H,18,20)(H3,16,17,19);2,4,6-8,20H,3,5H2,1H3,(H,16,19)(H3,15,17,18)/t;11-,12-;;;;8-/m.1...0/s1
InChIKeyBZRMYDLLPRVWTC-QPUAQFLRSA-N
MW2019.60 g/mol
LogP16.54
Rot. Bonds30

About (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

(3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 163474962) has the molecular formula C97H115N31O7S6 and a molecular weight of 2019.60 g/mol. Its IUPAC name is (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name(3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
PubChem CID163474962
Molecular FormulaC97H115N31O7S6
Molecular Weight2019.60 g/mol
Exact Mass2017.79
IUPAC Name(3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
SMILESCC(CO)(CO)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CC1(CNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)COC1.C[C@@H](CCO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.C[C@@H]1CN(CCNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)C[C@@H](C)O1.Nc1cc(NC(CCO)c2ccccc2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(NCC2CCOCC2)c2sc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C19H19N5OS.C18H24N6OS.C16H19N5OS.C15H19N5O2S.C15H17N5OS.C14H17N5OS/c20-18-11-16(22-13(7-9-25)12-4-2-1-3-5-12)19-15(23-18)10-17(26-19)14-6-8-21-24-14;1-11-9-24(10-12(2)25-11)6-5-20-14-8-17(19)22-15-7-16(26-18(14)15)13-3-4-21-23-13;17-15-8-12(18-9-10-2-5-22-6-3-10)16-13(20-15)7-14(23-16)11-1-4-19-21-11;1-15(7-21,8-22)6-17-10-5-13(16)19-11-4-12(23-14(10)11)9-2-3-18-20-9;1-15(7-21-8-15)6-17-10-5-13(16)19-11-4-12(22-14(10)11)9-2-3-18-20-9;1-8(3-5-20)17-11-7-13(15)18-10-6-12(21-14(10)11)9-2-4-16-19-9/h1-6,8,10-11,13,25H,7,9H2,(H,21,24)(H3,20,22,23);3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,21,23)(H3,19,20,22);1,4,7-8,10H,2-3,5-6,9H2,(H,19,21)(H3,17,18,20);2-5,21-22H,6-8H2,1H3,(H,18,20)(H3,16,17,19);2-5H,6-8H2,1H3,(H,18,20)(H3,16,17,19);2,4,6-8,20H,3,5H2,1H3,(H,16,19)(H3,15,17,18)/t;11-,12-;;;;8-/m.1...0/s1
InChIKeyBZRMYDLLPRVWTC-QPUAQFLRSA-N
XLogP16.54
TPSA589.57 Ų
H-Bond Donors22
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002019.60
LogP ≤ 516.54
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1038

Analyze (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 161552644
(2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine
CID 163534337
(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;1-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-4-methylpiperidin-4-ol;cis-(1S,2R)-2-[[5-amino-2-(2H-pyrrol-3-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;7-(3,3-difluoro-3-pyridin-2-ylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine
CID 163537263
(2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-1-methylcyclobutan-1-ol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-methylamino]propan-1-ol;7-N-(4-methylcyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;2-(1H-pyrazol-5-yl)-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine
CID 163703587
N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-ethyl-2-(3-methylphenyl)acetamide;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 164023209
(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;1-[3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propyl]-4-methylpiperidin-4-ol;cis-(1S,2R)-2-[[5-amino-2-(2H-pyrrol-3-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 164113930
N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-ethylpropanamide;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 164129626
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-(4-morpholin-4-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 158583318
N-[4-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(3-methoxypyrrolidin-1-yl)methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-(methylaminomethyl)-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[(2-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 160853388
(2S)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol;7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3R)-1-methylpiperidin-3-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[[(2S)-oxolan-2-yl]methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 163415549
4-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclohexan-1-ol;bis(3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-2,2-dimethylpropan-1-ol);bis(7-N-pentan-3-yl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine)
CID 163437402
1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one;7-N-[(2R)-1-methoxypropan-2-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 163450679

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The IUPAC name of (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 163474962) is (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.
What is the SMILES notation for (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The canonical SMILES for (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is CC(CO)(CO)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CC1(CNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)COC1.C[C@@H](CCO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.C[C@@H]1CN(CCNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)C[C@@H](C)O1.Nc1cc(NC(CCO)c2ccccc2)c2sc(-c3ccn[nH]3)cc2n1.Nc1cc(NCC2CCOCC2)c2sc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The InChIKey is BZRMYDLLPRVWTC-QPUAQFLRSA-N. The full InChI is InChI=1S/C19H19N5OS.C18H24N6OS.C16H19N5OS.C15H19N5O2S.C15H17N5OS.C14H17N5OS/c20-18-11-16(22-13(7-9-25)12-4-2-1-3-5-12)19-15(23-18)10-17(26-19)14-6-8-21-24-14;1-11-9-24(10-12(2)25-11)6-5-20-14-8-17(19)22-15-7-16(26-18(14)15)13-3-4-21-23-13;17-15-8-12(18-9-10-2-5-22-6-3-10)16-13(20-15)7-14(23-16)11-1-4-19-21-11;1-15(7-21,8-22)6-17-10-5-13(16)19-11-4-12(23-14(10)11)9-2-3-18-20-9;1-15(7-21-8-15)6-17-10-5-13(16)19-11-4-12(22-14(10)11)9-2-3-18-20-9;1-8(3-5-20)17-11-7-13(15)18-10-6-12(21-14(10)11)9-2-4-16-19-9/h1-6,8,10-11,13,25H,7,9H2,(H,21,24)(H3,20,22,23);3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,21,23)(H3,19,20,22);1,4,7-8,10H,2-3,5-6,9H2,(H,19,21)(H3,17,18,20);2-5,21-22H,6-8H2,1H3,(H,18,20)(H3,16,17,19);2-5H,6-8H2,1H3,(H,18,20)(H3,16,17,19);2,4,6-8,20H,3,5H2,1H3,(H,16,19)(H3,15,17,18)/t;11-,12-;;;;8-/m.1...0/s1.
What are the key properties of (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
(3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 2019.60 g/mol, XLogP of 16.54, 30 rotatable bonds, 22 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol;2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]-2-methylpropane-1,3-diol;3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-3-phenylpropan-1-ol;7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;7-N-(oxan-4-ylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 163474962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).