trans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol

C15H16FN5OS — CID 162785030

IUPACtrans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
SMILESNc1cc(N[C@H]2CC[C@H](O)C2)c2sc(-n3cc(F)cn3)cc2n1
InChIInChI=1S/C15H16FN5OS/c16-8-6-18-21(7-8)14-5-12-15(23-14)11(4-13(17)20-12)19-9-1-2-10(22)3-9/h4-7,9-10,22H,1-3H2,(H3,17,19,20)/t9-,10-/m0/s1
InChIKeyCQSFJCFBHCGISS-UWVGGRQHSA-N
MW333.39 g/mol
LogP2.53
Rot. Bonds3

About trans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol

trans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol (PubChem CID 162785030) has the molecular formula C15H16FN5OS and a molecular weight of 333.39 g/mol. Its IUPAC name is trans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
PubChem CID162785030
Molecular FormulaC15H16FN5OS
Molecular Weight333.39 g/mol
Exact Mass333.11
IUPAC Nametrans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
SMILESNc1cc(N[C@H]2CC[C@H](O)C2)c2sc(-n3cc(F)cn3)cc2n1
InChIInChI=1S/C15H16FN5OS/c16-8-6-18-21(7-8)14-5-12-15(23-14)11(4-13(17)20-12)19-9-1-2-10(22)3-9/h4-7,9-10,22H,1-3H2,(H3,17,19,20)/t9-,10-/m0/s1
InChIKeyCQSFJCFBHCGISS-UWVGGRQHSA-N
XLogP2.53
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-[(1-Phenylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 134607181
4-[[2-[(1-Cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 135128157
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-(ethylamino)-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
CID 166905373
3-[[2-(4-Fluoropyrazol-1-yl)-5-(methylamino)thieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
CID 166905377
3-[[2-(4-Fluoropyrazol-1-yl)-5-(methylamino)-2,3-dihydrothieno[3,2-b]pyridin-7-yl]amino]propan-1-ol
CID 166905481
4-[[2-[(1-Methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 135128242
trans-(1S,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
CID 154684704
cis-(1S,2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
CID 154684707
3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclobutan-1-ol
CID 154684709
cis-(1S,3R)-3-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
CID 154684710
(2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol
CID 154684714

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol (CID 162785030) is trans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-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-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol is Nc1cc(N[C@H]2CC[C@H](O)C2)c2sc(-n3cc(F)cn3)cc2n1.
What is the InChIKey of trans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?
The InChIKey is CQSFJCFBHCGISS-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H16FN5OS/c16-8-6-18-21(7-8)14-5-12-15(23-14)11(4-13(17)20-12)19-9-1-2-10(22)3-9/h4-7,9-10,22H,1-3H2,(H3,17,19,20)/t9-,10-/m0/s1.
What are the key properties of trans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?
trans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol has a molecular weight of 333.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-[[5-amino-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 162785030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).