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

C17H20FN5OS — CID 166905373

IUPACtrans-(1S,3S)-3-[[5-(ethylamino)-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
SMILESCCNc1cc(N[C@H]2CC[C@H](O)C2)c2sc(-n3cc(F)cn3)cc2n1
InChIInChI=1S/C17H20FN5OS/c1-2-19-15-6-13(21-11-3-4-12(24)5-11)17-14(22-15)7-16(25-17)23-9-10(18)8-20-23/h6-9,11-12,24H,2-5H2,1H3,(H2,19,21,22)/t11-,12-/m0/s1
InChIKeyOOHIJVKJYGSANQ-RYUDHWBXSA-N
MW361.45 g/mol
LogP3.38
Rot. Bonds5

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

trans-(1S,3S)-3-[[5-(ethylamino)-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol (PubChem CID 166905373) has the molecular formula C17H20FN5OS and a molecular weight of 361.45 g/mol. Its IUPAC name is trans-(1S,3S)-3-[[5-(ethylamino)-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[[5-(ethylamino)-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
PubChem CID166905373
Molecular FormulaC17H20FN5OS
Molecular Weight361.45 g/mol
Exact Mass361.14
IUPAC Nametrans-(1S,3S)-3-[[5-(ethylamino)-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
SMILESCCNc1cc(N[C@H]2CC[C@H](O)C2)c2sc(-n3cc(F)cn3)cc2n1
InChIInChI=1S/C17H20FN5OS/c1-2-19-15-6-13(21-11-3-4-12(24)5-11)17-14(22-15)7-16(25-17)23-9-10(18)8-20-23/h6-9,11-12,24H,2-5H2,1H3,(H2,19,21,22)/t11-,12-/m0/s1
InChIKeyOOHIJVKJYGSANQ-RYUDHWBXSA-N
XLogP3.38
TPSA75.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[[5-(ethylamino)-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-(ethylamino)-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol (CID 166905373) is trans-(1S,3S)-3-[[5-(ethylamino)-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-(ethylamino)-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-(ethylamino)-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol is CCNc1cc(N[C@H]2CC[C@H](O)C2)c2sc(-n3cc(F)cn3)cc2n1.
What is the InChIKey of trans-(1S,3S)-3-[[5-(ethylamino)-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?
The InChIKey is OOHIJVKJYGSANQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H20FN5OS/c1-2-19-15-6-13(21-11-3-4-12(24)5-11)17-14(22-15)7-16(25-17)23-9-10(18)8-20-23/h6-9,11-12,24H,2-5H2,1H3,(H2,19,21,22)/t11-,12-/m0/s1.
What are the key properties of trans-(1S,3S)-3-[[5-(ethylamino)-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol?
trans-(1S,3S)-3-[[5-(ethylamino)-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol has a molecular weight of 361.45 g/mol, XLogP of 3.38, 5 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-(ethylamino)-2-(4-fluoropyrazol-1-yl)thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 166905373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).