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

C24H33N5O2S — CID 154684775

IUPACcis-(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
SMILESCC(C)(C)Nc1cc(N[C@@H]2CCC[C@@H]2O)c2sc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C24H33N5O2S/c1-24(2,3)28-21-14-17(26-15-7-6-8-19(15)30)23-16(27-21)13-20(32-23)18-10-11-25-29(18)22-9-4-5-12-31-22/h10-11,13-15,19,22,30H,4-9,12H2,1-3H3,(H2,26,27,28)/t15-,19+,22?/m1/s1
InChIKeyCEUVLBAKVRSOKW-CXJXCWRCSA-N
MW455.63 g/mol
LogP5.39
Rot. Bonds5

About 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

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 (PubChem CID 154684775) has the molecular formula C24H33N5O2S and a molecular weight of 455.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecis-(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
PubChem CID154684775
Molecular FormulaC24H33N5O2S
Molecular Weight455.63 g/mol
Exact Mass455.24
IUPAC Namecis-(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
SMILESCC(C)(C)Nc1cc(N[C@@H]2CCC[C@@H]2O)c2sc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C24H33N5O2S/c1-24(2,3)28-21-14-17(26-15-7-6-8-19(15)30)23-16(27-21)13-20(32-23)18-10-11-25-29(18)22-9-4-5-12-31-22/h10-11,13-15,19,22,30H,4-9,12H2,1-3H3,(H2,26,27,28)/t15-,19+,22?/m1/s1
InChIKeyCEUVLBAKVRSOKW-CXJXCWRCSA-N
XLogP5.39
TPSA84.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.63
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 154684775) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)Nc1cc(N[C@@H]2CCC[C@@H]2O)c2sc(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of 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?
The InChIKey is CEUVLBAKVRSOKW-CXJXCWRCSA-N. The full InChI is InChI=1S/C24H33N5O2S/c1-24(2,3)28-21-14-17(26-15-7-6-8-19(15)30)23-16(27-21)13-20(32-23)18-10-11-25-29(18)22-9-4-5-12-31-22/h10-11,13-15,19,22,30H,4-9,12H2,1-3H3,(H2,26,27,28)/t15-,19+,22?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 455.63 g/mol, XLogP of 5.39, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154684775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).