N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine

C31H38N6OS — CID 10302479

IUPACN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine
SMILESCOc1ccc(-c2nn3c(SC(C)C)cc(NC4CCCC4)cc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C31H38N6OS/c1-20(2)39-28-19-24(33-22-8-4-5-9-22)18-27-29(26-16-17-32-31(35-26)34-23-10-6-7-11-23)30(36-37(27)28)21-12-14-25(38-3)15-13-21/h12-20,22-23,33H,4-11H2,1-3H3,(H,32,34,35)
InChIKeySASXWATUGFXBFI-UHFFFAOYSA-N
MW542.75 g/mol
LogP7.68
Rot. Bonds9

About N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine (PubChem CID 10302479) has the molecular formula C31H38N6OS and a molecular weight of 542.75 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine
PubChem CID10302479
Molecular FormulaC31H38N6OS
Molecular Weight542.75 g/mol
Exact Mass542.28
IUPAC NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine
SMILESCOc1ccc(-c2nn3c(SC(C)C)cc(NC4CCCC4)cc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C31H38N6OS/c1-20(2)39-28-19-24(33-22-8-4-5-9-22)18-27-29(26-16-17-32-31(35-26)34-23-10-6-7-11-23)30(36-37(27)28)21-12-14-25(38-3)15-13-21/h12-20,22-23,33H,4-11H2,1-3H3,(H,32,34,35)
InChIKeySASXWATUGFXBFI-UHFFFAOYSA-N
XLogP7.68
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.75
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 57444748
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine
CID 10298784
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine
CID 10164428
2-[4-[[3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]butyl]guanidine
CID 10229481
5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine
CID 10115398
4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine
CID 167788437
2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine
CID 10205592
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 10274363
1-[4-[[3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]butyl]-3-(4-methylphenyl)sulfonylurea
CID 10305206
N-cyclopentyl-2-[2-(cyclopentylamino)-4-pyridinyl]-3-[2-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine
CID 10289087
4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropylpyrimidin-2-amine
CID 10110282
7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 10279925

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine (CID 10302479) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine is COc1ccc(-c2nn3c(SC(C)C)cc(NC4CCCC4)cc3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
The InChIKey is SASXWATUGFXBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6OS/c1-20(2)39-28-19-24(33-22-8-4-5-9-22)18-27-29(26-16-17-32-31(35-26)34-23-10-6-7-11-23)30(36-37(27)28)21-12-14-25(38-3)15-13-21/h12-20,22-23,33H,4-11H2,1-3H3,(H,32,34,35).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine has a molecular weight of 542.75 g/mol, XLogP of 7.68, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 10302479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).