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

C30H35FN6S — CID 10208724

IUPACN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine
SMILESCC(C)Sc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C30H35FN6S/c1-19(2)38-27-18-24(33-22-7-3-4-8-22)17-26-28(29(36-37(26)27)20-11-13-21(31)14-12-20)25-15-16-32-30(35-25)34-23-9-5-6-10-23/h11-19,22-23,33H,3-10H2,1-2H3,(H,32,34,35)
InChIKeyRYKRWMFYUZRWPQ-UHFFFAOYSA-N
MW530.72 g/mol
LogP7.81
Rot. Bonds8

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

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine (PubChem CID 10208724) has the molecular formula C30H35FN6S and a molecular weight of 530.72 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine
PubChem CID10208724
Molecular FormulaC30H35FN6S
Molecular Weight530.72 g/mol
Exact Mass530.26
IUPAC NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine
SMILESCC(C)Sc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C30H35FN6S/c1-19(2)38-27-18-24(33-22-7-3-4-8-22)17-26-28(29(36-37(26)27)20-11-13-21(31)14-12-20)25-15-16-32-30(35-25)34-23-9-5-6-10-23/h11-19,22-23,33H,3-10H2,1-2H3,(H,32,34,35)
InChIKeyRYKRWMFYUZRWPQ-UHFFFAOYSA-N
XLogP7.81
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.72
LogP ≤ 57.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539440
N-Cyclopentyl-3-(2-(cyclopentylamino)-4-pyrimidinyl)-2-(4-fluorophenyl)pyrazolo(1,5-a)pyridin-7-amine
CID 5275682
2-(4-Fluorophenyl)-7-methylthio-3-(4-pyrimidinyl)pyrazolo[1,5-a]pyridine
CID 9945696
N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
CID 10115190
N-[3-(dimethylamino)propyl]-N-[4-{2-(4-fluorophenyl)-6-(trifluoromethyl)-pyrazolo[1,5-a]pyridin-3-yl}pyrimidin-2-yl]amine
CID 10115337
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidin-7-amine
CID 10127619
N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-7-(ethylsulfanyl)-2-(4-fluorophenyl)pyrazolo[1,5-alpha]pyridin-5-amine
CID 10142592
N-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine
CID 10151662
5-N,7-N-dicyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-5,7-diamine
CID 10165756
N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-2-phenylpyrazolo[1,5-a]pyridin-7-amine
CID 10181645
N-cyclopentyl-3-[6-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
CID 10182804
N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-2-(4-fluorophenyl)-pyrazolo[1,5-a]pyridin-5-amine
CID 10276099

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine (CID 10208724) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-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-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine is CC(C)Sc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
The InChIKey is RYKRWMFYUZRWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6S/c1-19(2)38-27-18-24(33-22-7-3-4-8-22)17-26-28(29(36-37(26)27)20-11-13-21(31)14-12-20)25-15-16-32-30(35-25)34-23-9-5-6-10-23/h11-19,22-23,33H,3-10H2,1-2H3,(H,32,34,35).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine has a molecular weight of 530.72 g/mol, XLogP of 7.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-propan-2-ylsulfanylpyrazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 10208724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).