cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol

C15H17N5OS — CID 162784954

IUPACcis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
SMILESNc1cc(N[C@H]2CC[C@@H](O)C2)c2sc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H17N5OS/c16-14-7-12(18-8-1-2-9(21)5-8)15-11(19-14)6-13(22-15)10-3-4-17-20-10/h3-4,6-9,21H,1-2,5H2,(H,17,20)(H3,16,18,19)/t8-,9+/m0/s1
InChIKeyZIAUJDUUDSNWNH-DTWKUNHWSA-N
MW315.40 g/mol
LogP2.59
Rot. Bonds3

About 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-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol (PubChem CID 162784954) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
PubChem CID162784954
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Namecis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
SMILESNc1cc(N[C@H]2CC[C@@H](O)C2)c2sc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H17N5OS/c16-14-7-12(18-8-1-2-9(21)5-8)15-11(19-14)6-13(22-15)10-3-4-17-20-10/h3-4,6-9,21H,1-2,5H2,(H,17,20)(H3,16,18,19)/t8-,9+/m0/s1
InChIKeyZIAUJDUUDSNWNH-DTWKUNHWSA-N
XLogP2.59
TPSA99.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-[(1-Cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 135128157
2-[[7-(2,2-difluoroethylamino)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-yl]amino]ethanol
CID 156201056
N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)-5-pyrrolidin-1-ylthieno[3,2-b]pyridin-7-amine
CID 156201081
7-N-(2,2-difluoroethyl)-5-N-ethyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 156217450
7-N-(2,2-difluoroethyl)-5-N,5-N-diethyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 156217773
7-N-(2,2-difluoroethyl)-5-N-propan-2-yl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 156217840
5-N-cyclopropyl-7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 156217843
7-N-(2,2-difluoroethyl)-5-N,5-N-dimethyl-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 156217871
7-N-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 162784912
3-[[5-Amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
CID 162784983
trans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
CID 162785030
7-N-(4,4-difluorocyclohexyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 162785033

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?
The IUPAC name of cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol (CID 162784954) is cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol is Nc1cc(N[C@H]2CC[C@@H](O)C2)c2sc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?
The InChIKey is ZIAUJDUUDSNWNH-DTWKUNHWSA-N. The full InChI is InChI=1S/C15H17N5OS/c16-14-7-12(18-8-1-2-9(21)5-8)15-11(19-14)6-13(22-15)10-3-4-17-20-10/h3-4,6-9,21H,1-2,5H2,(H,17,20)(H3,16,18,19)/t8-,9+/m0/s1.
What are the key properties of 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-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol has a molecular weight of 315.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 162784954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).