N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]imidazo[1,2-a]pyridin-8-amine

C31H36N6O — CID 10164429

IUPACN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESc1cc(NC2CCCC2)c2nc(-c3ccc(OCC4CC4)cc3)c(-c3ccnc(NC4CCCC4)n3)n2c1
InChIInChI=1S/C31H36N6O/c1-2-7-23(6-1)33-27-10-5-19-37-29(26-17-18-32-31(35-26)34-24-8-3-4-9-24)28(36-30(27)37)22-13-15-25(16-14-22)38-20-21-11-12-21/h5,10,13-19,21,23-24,33H,1-4,6-9,11-12,20H2,(H,32,34,35)
InChIKeyZVFBUFIJHUDYHP-UHFFFAOYSA-N
MW508.67 g/mol
LogP6.96
Rot. Bonds9

About N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]imidazo[1,2-a]pyridin-8-amine

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]imidazo[1,2-a]pyridin-8-amine (PubChem CID 10164429) has the molecular formula C31H36N6O and a molecular weight of 508.67 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]imidazo[1,2-a]pyridin-8-amine
PubChem CID10164429
Molecular FormulaC31H36N6O
Molecular Weight508.67 g/mol
Exact Mass508.30
IUPAC NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESc1cc(NC2CCCC2)c2nc(-c3ccc(OCC4CC4)cc3)c(-c3ccnc(NC4CCCC4)n3)n2c1
InChIInChI=1S/C31H36N6O/c1-2-7-23(6-1)33-27-10-5-19-37-29(26-17-18-32-31(35-26)34-24-8-3-4-9-24)28(36-30(27)37)22-13-15-25(16-14-22)38-20-21-11-12-21/h5,10,13-19,21,23-24,33H,1-4,6-9,11-12,20H2,(H,32,34,35)
InChIKeyZVFBUFIJHUDYHP-UHFFFAOYSA-N
XLogP6.96
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]imidazo[1,2-a]pyridin-8-amine (CID 10164429) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]imidazo[1,2-a]pyridin-8-amine is c1cc(NC2CCCC2)c2nc(-c3ccc(OCC4CC4)cc3)c(-c3ccnc(NC4CCCC4)n3)n2c1.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]imidazo[1,2-a]pyridin-8-amine?
The InChIKey is ZVFBUFIJHUDYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O/c1-2-7-23(6-1)33-27-10-5-19-37-29(26-17-18-32-31(35-26)34-24-8-3-4-9-24)28(36-30(27)37)22-13-15-25(16-14-22)38-20-21-11-12-21/h5,10,13-19,21,23-24,33H,1-4,6-9,11-12,20H2,(H,32,34,35).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]imidazo[1,2-a]pyridin-8-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]imidazo[1,2-a]pyridin-8-amine has a molecular weight of 508.67 g/mol, XLogP of 6.96, 9 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-(cyclopropylmethoxy)phenyl]imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 10164429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).