1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine

C115H128FN35O5 — CID 167533259

IUPAC1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine
SMILESCC(C)(O)CNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.CCCCNc1cc(N)nc2cc(-c3ccn[nH]3)c(F)cc12.CC[C@@H](O)COc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.C[C@@H](O)CNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.C[C@H]1CC[C@H](Nc2cc(N)nc3cc(-c4ccn[nH]4)ccc23)C1.Nc1cc(NCc2ccc[nH]2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(N[C@@H]2CCC[C@@H]2O)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C18H21N5.C17H16N6.C17H19N5O.C16H18FN5.C16H19N5O.C16H18N4O2.C15H17N5O/c1-11-2-4-13(8-11)21-17-10-18(19)22-16-9-12(3-5-14(16)17)15-6-7-20-23-15;18-17-9-15(20-10-12-2-1-6-19-12)13-4-3-11(8-16(13)22-17)14-5-7-21-23-14;18-17-9-15(20-13-2-1-3-16(13)23)11-5-4-10(8-14(11)21-17)12-6-7-19-22-12;1-2-3-5-19-14-9-16(18)21-15-8-10(12(17)7-11(14)15)13-4-6-20-22-13;1-16(2,22)9-18-13-8-15(17)20-14-7-10(3-4-11(13)14)12-5-6-19-21-12;1-2-11(21)9-22-15-8-16(17)19-14-7-10(3-4-12(14)15)13-5-6-18-20-13;1-9(21)8-17-13-7-15(16)19-14-6-10(2-3-11(13)14)12-4-5-18-20-12/h3,5-7,9-11,13H,2,4,8H2,1H3,(H,20,23)(H3,19,21,22);1-9,19H,10H2,(H,21,23)(H3,18,20,22);4-9,13,16,23H,1-3H2,(H,19,22)(H3,18,20,21);4,6-9H,2-3,5H2,1H3,(H,20,22)(H3,18,19,21);3-8,22H,9H2,1-2H3,(H,19,21)(H3,17,18,20);3-8,11,21H,2,9H2,1H3,(H2,17,19)(H,18,20);2-7,9,21H,8H2,1H3,(H,18,20)(H3,16,17,19)/t11-,13-;;13-,16+;;;11-;9-/m0.1..11/s1
InChIKeyAGFYCEZKKHLHTH-WJYYFLIMSA-N
MW2099.53 g/mol
LogP19.79
Rot. Bonds28

About 1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine

1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine (PubChem CID 167533259) has the molecular formula C115H128FN35O5 and a molecular weight of 2099.53 g/mol. Its IUPAC name is 1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine.

Molecular Properties

Compound Name1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine
PubChem CID167533259
Molecular FormulaC115H128FN35O5
Molecular Weight2099.53 g/mol
Exact Mass2098.08
IUPAC Name1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine
SMILESCC(C)(O)CNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.CCCCNc1cc(N)nc2cc(-c3ccn[nH]3)c(F)cc12.CC[C@@H](O)COc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.C[C@@H](O)CNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.C[C@H]1CC[C@H](Nc2cc(N)nc3cc(-c4ccn[nH]4)ccc23)C1.Nc1cc(NCc2ccc[nH]2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(N[C@@H]2CCC[C@@H]2O)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C18H21N5.C17H16N6.C17H19N5O.C16H18FN5.C16H19N5O.C16H18N4O2.C15H17N5O/c1-11-2-4-13(8-11)21-17-10-18(19)22-16-9-12(3-5-14(16)17)15-6-7-20-23-15;18-17-9-15(20-10-12-2-1-6-19-12)13-4-3-11(8-16(13)22-17)14-5-7-21-23-14;18-17-9-15(20-13-2-1-3-16(13)23)11-5-4-10(8-14(11)21-17)12-6-7-19-22-12;1-2-3-5-19-14-9-16(18)21-15-8-10(12(17)7-11(14)15)13-4-6-20-22-13;1-16(2,22)9-18-13-8-15(17)20-14-7-10(3-4-11(13)14)12-5-6-19-21-12;1-2-11(21)9-22-15-8-16(17)19-14-7-10(3-4-12(14)15)13-5-6-18-20-13;1-9(21)8-17-13-7-15(16)19-14-6-10(2-3-11(13)14)12-4-5-18-20-12/h3,5-7,9-11,13H,2,4,8H2,1H3,(H,20,23)(H3,19,21,22);1-9,19H,10H2,(H,21,23)(H3,18,20,22);4-9,13,16,23H,1-3H2,(H,19,22)(H3,18,20,21);4,6-9H,2-3,5H2,1H3,(H,20,22)(H3,18,19,21);3-8,22H,9H2,1-2H3,(H,19,21)(H3,17,18,20);3-8,11,21H,2,9H2,1H3,(H2,17,19)(H,18,20);2-7,9,21H,8H2,1H3,(H,18,20)(H3,16,17,19)/t11-,13-;;13-,16+;;;11-;9-/m0.1..11/s1
InChIKeyAGFYCEZKKHLHTH-WJYYFLIMSA-N
XLogP19.79
TPSA651.25 Ų
H-Bond Donors25
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002099.53
LogP ≤ 519.79
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 158180195
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 158860377
[5-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-1-methylpyrazol-3-yl]methanol;N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(oxan-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine;N-ethyl-3-(1-methylpiperidin-4-yl)-1-[4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
CID 163763222
(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;methane;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 165082117
CID 167643998
CID 167643998
(2S)-2-[[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]methyl]-3-trityloxypropan-1-ol;2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]propane-1,3-diol;(2R)-2-methoxy-3-trityloxypropan-1-ol;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
CID 157153678
1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxyindazole;(2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperidin-4-ol;6-(1-methylpyrazol-4-yl)-1-(2-piperidin-1-yl-4-pyridinyl)indazole;2-[4-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 157506127
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1H-indol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindol-6-yl)phenoxy]propan-2-ol
CID 157542636
6-fluoro-2-propan-2-ylquinoline;7-fluoro-5-propan-2-ylquinoxaline;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-3-propan-2-ylindazole;6-propan-2-yl-5H-cyclopenta[b]pyridine;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-5H-cyclopenta[c]pyridine;7-propan-2-yl-1H-indazole;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,6-naphthyridine;2-propan-2-yl-1,8-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-ylquinoxaline
CID 158281019
(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;methane;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 159709745
(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 159871175
(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 160690773

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine?
The IUPAC name of 1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine (CID 167533259) is 1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine.
What is the SMILES notation for 1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine?
The canonical SMILES for 1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine is CC(C)(O)CNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.CCCCNc1cc(N)nc2cc(-c3ccn[nH]3)c(F)cc12.CC[C@@H](O)COc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.C[C@@H](O)CNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.C[C@H]1CC[C@H](Nc2cc(N)nc3cc(-c4ccn[nH]4)ccc23)C1.Nc1cc(NCc2ccc[nH]2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(N[C@@H]2CCC[C@@H]2O)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine?
The InChIKey is AGFYCEZKKHLHTH-WJYYFLIMSA-N. The full InChI is InChI=1S/C18H21N5.C17H16N6.C17H19N5O.C16H18FN5.C16H19N5O.C16H18N4O2.C15H17N5O/c1-11-2-4-13(8-11)21-17-10-18(19)22-16-9-12(3-5-14(16)17)15-6-7-20-23-15;18-17-9-15(20-10-12-2-1-6-19-12)13-4-3-11(8-16(13)22-17)14-5-7-21-23-14;18-17-9-15(20-13-2-1-3-16(13)23)11-5-4-10(8-14(11)21-17)12-6-7-19-22-12;1-2-3-5-19-14-9-16(18)21-15-8-10(12(17)7-11(14)15)13-4-6-20-22-13;1-16(2,22)9-18-13-8-15(17)20-14-7-10(3-4-11(13)14)12-5-6-19-21-12;1-2-11(21)9-22-15-8-16(17)19-14-7-10(3-4-12(14)15)13-5-6-18-20-13;1-9(21)8-17-13-7-15(16)19-14-6-10(2-3-11(13)14)12-4-5-18-20-12/h3,5-7,9-11,13H,2,4,8H2,1H3,(H,20,23)(H3,19,21,22);1-9,19H,10H2,(H,21,23)(H3,18,20,22);4-9,13,16,23H,1-3H2,(H,19,22)(H3,18,20,21);4,6-9H,2-3,5H2,1H3,(H,20,22)(H3,18,19,21);3-8,22H,9H2,1-2H3,(H,19,21)(H3,17,18,20);3-8,11,21H,2,9H2,1H3,(H2,17,19)(H,18,20);2-7,9,21H,8H2,1H3,(H,18,20)(H3,16,17,19)/t11-,13-;;13-,16+;;;11-;9-/m0.1..11/s1.
What are the key properties of 1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine?
1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine has a molecular weight of 2099.53 g/mol, XLogP of 19.79, 28 rotatable bonds, 25 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine is sourced from PubChem (CID 167533259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).