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

C27H30N6 — CID 10181645

IUPACN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenylpyrazolo[1,5-a]pyridin-7-amine
SMILESc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C27H30N6/c1-2-9-19(10-3-1)26-25(22-17-18-28-27(31-22)30-21-13-6-7-14-21)23-15-8-16-24(33(23)32-26)29-20-11-4-5-12-20/h1-3,8-10,15-18,20-21,29H,4-7,11-14H2,(H,28,30,31)
InChIKeyDNJDAOUZXFKWRM-UHFFFAOYSA-N
MW438.58 g/mol
LogP6.17
Rot. Bonds6

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

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenylpyrazolo[1,5-a]pyridin-7-amine (PubChem CID 10181645) has the molecular formula C27H30N6 and a molecular weight of 438.58 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenylpyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenylpyrazolo[1,5-a]pyridin-7-amine
PubChem CID10181645
Molecular FormulaC27H30N6
Molecular Weight438.58 g/mol
Exact Mass438.25
IUPAC NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenylpyrazolo[1,5-a]pyridin-7-amine
SMILESc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C27H30N6/c1-2-9-19(10-3-1)26-25(22-17-18-28-27(31-22)30-21-13-6-7-14-21)23-15-8-16-24(33(23)32-26)29-20-11-4-5-12-20/h1-3,8-10,15-18,20-21,29H,4-7,11-14H2,(H,28,30,31)
InChIKeyDNJDAOUZXFKWRM-UHFFFAOYSA-N
XLogP6.17
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenylpyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenylpyrazolo[1,5-a]pyridin-7-amine (CID 10181645) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenylpyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenylpyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenylpyrazolo[1,5-a]pyridin-7-amine is c1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenylpyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is DNJDAOUZXFKWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6/c1-2-9-19(10-3-1)26-25(22-17-18-28-27(31-22)30-21-13-6-7-14-21)23-15-8-16-24(33(23)32-26)29-20-11-4-5-12-20/h1-3,8-10,15-18,20-21,29H,4-7,11-14H2,(H,28,30,31).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenylpyrazolo[1,5-a]pyridin-7-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenylpyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 438.58 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenylpyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 10181645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).