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

C15H17N5OS — CID 154684778

IUPACtrans-(1S,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-IUCAKERBSA-N
MW315.40 g/mol
LogP2.59
Rot. Bonds3

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

trans-(1S,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol (PubChem CID 154684778) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is trans-(1S,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
PubChem CID154684778
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Nametrans-(1S,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-IUCAKERBSA-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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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol (CID 154684778) is trans-(1S,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 trans-(1S,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,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 trans-(1S,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?
The InChIKey is ZIAUJDUUDSNWNH-IUCAKERBSA-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 trans-(1S,3S)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?
trans-(1S,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 trans-(1S,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 154684778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).