(2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine

C49H62ClN15O5S3 — CID 163615082

IUPAC(2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine
SMILESC[C@@H](O)CN.C[C@@H](O)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.C[C@@H](O)CNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C18H23N5O2S.C15H15ClN4OS.C13H15N5OS.C3H9NO/c1-11(24)10-20-12-9-16(19)22-13-8-15(26-18(12)13)14-5-6-21-23(14)17-4-2-3-7-25-17;16-9-7-13(17)19-10-8-12(22-15(9)10)11-4-5-18-20(11)14-3-1-2-6-21-14;1-7(19)6-15-9-5-12(14)17-10-4-11(20-13(9)10)8-2-3-16-18-8;1-3(5)2-4/h5-6,8-9,11,17,24H,2-4,7,10H2,1H3,(H3,19,20,22);4-5,7-8,14H,1-3,6H2,(H2,17,19);2-5,7,19H,6H2,1H3,(H,16,18)(H3,14,15,17);3,5H,2,4H2,1H3/t11-,17?;;7-;3-/m1.11/s1
InChIKeyHJHDZBLOEMDSIB-XITXEJQLSA-N
MW1072.79 g/mol
LogP8.72
Rot. Bonds12

About (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine

(2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine (PubChem CID 163615082) has the molecular formula C49H62ClN15O5S3 and a molecular weight of 1072.79 g/mol. Its IUPAC name is (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine.

Molecular Properties

Compound Name(2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine
PubChem CID163615082
Molecular FormulaC49H62ClN15O5S3
Molecular Weight1072.79 g/mol
Exact Mass1071.39
IUPAC Name(2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine
SMILESC[C@@H](O)CN.C[C@@H](O)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.C[C@@H](O)CNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C18H23N5O2S.C15H15ClN4OS.C13H15N5OS.C3H9NO/c1-11(24)10-20-12-9-16(19)22-13-8-15(26-18(12)13)14-5-6-21-23(14)17-4-2-3-7-25-17;16-9-7-13(17)19-10-8-12(22-15(9)10)11-4-5-18-20(11)14-3-1-2-6-21-14;1-7(19)6-15-9-5-12(14)17-10-4-11(20-13(9)10)8-2-3-16-18-8;1-3(5)2-4/h5-6,8-9,11,17,24H,2-4,7,10H2,1H3,(H3,19,20,22);4-5,7-8,14H,1-3,6H2,(H2,17,19);2-5,7,19H,6H2,1H3,(H,16,18)(H3,14,15,17);3,5H,2,4H2,1H3/t11-,17?;;7-;3-/m1.11/s1
InChIKeyHJHDZBLOEMDSIB-XITXEJQLSA-N
XLogP8.72
TPSA310.28 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001072.79
LogP ≤ 58.72
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

(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
1-(2-aminoethyl)-4-methylpiperidin-4-ol;1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;1-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol
CID 163414843
(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
7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;4-methylbenzenesulfonic acid;(1-methylpyrazol-3-yl)methanamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;7-N-[(1-methylpyrazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 163434684
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
7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-(2-methylpropyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;2-methylpropan-1-amine;7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 163437855
(2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol
CID 163491458
2-[[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]methyl]propane-1,3-diol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-(oxetan-3-ylmethyl)thieno[3,2-b]pyridine-5,7-diamine;oxetan-3-ylmethanamine
CID 163498444
7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1R,3S)-3-aminocyclopentan-1-ol;bis(cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol);cis-(1R,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;hydrochloride
CID 163505435
7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;cis-(1S,2R)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;cis-(1S,2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
CID 163525682
(2S)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;3-[(5-amino-2-pyrazol-1-ylthieno[3,2-b]pyridin-7-yl)amino]propan-1-ol;cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol;trans-(1R,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
CID 163529422
7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[[(2S)-oxolan-2-yl]methyl]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 163531021

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine?
The IUPAC name of (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine (CID 163615082) is (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine.
What is the SMILES notation for (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine?
The canonical SMILES for (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine is C[C@@H](O)CN.C[C@@H](O)CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.C[C@@H](O)CNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)sc12.Nc1cc(Cl)c2sc(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine?
The InChIKey is HJHDZBLOEMDSIB-XITXEJQLSA-N. The full InChI is InChI=1S/C18H23N5O2S.C15H15ClN4OS.C13H15N5OS.C3H9NO/c1-11(24)10-20-12-9-16(19)22-13-8-15(26-18(12)13)14-5-6-21-23(14)17-4-2-3-7-25-17;16-9-7-13(17)19-10-8-12(22-15(9)10)11-4-5-18-20(11)14-3-1-2-6-21-14;1-7(19)6-15-9-5-12(14)17-10-4-11(20-13(9)10)8-2-3-16-18-8;1-3(5)2-4/h5-6,8-9,11,17,24H,2-4,7,10H2,1H3,(H3,19,20,22);4-5,7-8,14H,1-3,6H2,(H2,17,19);2-5,7,19H,6H2,1H3,(H,16,18)(H3,14,15,17);3,5H,2,4H2,1H3/t11-,17?;;7-;3-/m1.11/s1.
What are the key properties of (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine?
(2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine has a molecular weight of 1072.79 g/mol, XLogP of 8.72, 12 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;(2R)-1-aminopropan-2-ol;(2R)-1-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol;7-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine is sourced from PubChem (CID 163615082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).