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

C30H34N6O — CID 10141451

IUPACN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-prop-2-enoxyphenyl)imidazo[1,2-a]pyridin-8-amine
SMILESC=CCOc1cccc(-c2nc3c(NC4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)c1
InChIInChI=1S/C30H34N6O/c1-2-19-37-24-14-7-9-21(20-24)27-28(25-16-17-31-30(34-25)33-23-12-5-6-13-23)36-18-8-15-26(29(36)35-27)32-22-10-3-4-11-22/h2,7-9,14-18,20,22-23,32H,1,3-6,10-13,19H2,(H,31,33,34)
InChIKeyQLKWIAJMBCQYCG-UHFFFAOYSA-N
MW494.64 g/mol
LogP6.73
Rot. Bonds9

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

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-prop-2-enoxyphenyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 10141451) has the molecular formula C30H34N6O and a molecular weight of 494.64 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-prop-2-enoxyphenyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-prop-2-enoxyphenyl)imidazo[1,2-a]pyridin-8-amine
PubChem CID10141451
Molecular FormulaC30H34N6O
Molecular Weight494.64 g/mol
Exact Mass494.28
IUPAC NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-prop-2-enoxyphenyl)imidazo[1,2-a]pyridin-8-amine
SMILESC=CCOc1cccc(-c2nc3c(NC4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)c1
InChIInChI=1S/C30H34N6O/c1-2-19-37-24-14-7-9-21(20-24)27-28(25-16-17-31-30(34-25)33-23-12-5-6-13-23)36-18-8-15-26(29(36)35-27)32-22-10-3-4-11-22/h2,7-9,14-18,20,22-23,32H,1,3-6,10-13,19H2,(H,31,33,34)
InChIKeyQLKWIAJMBCQYCG-UHFFFAOYSA-N
XLogP6.73
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-prop-2-enoxyphenyl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-prop-2-enoxyphenyl)imidazo[1,2-a]pyridin-8-amine (CID 10141451) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-prop-2-enoxyphenyl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-prop-2-enoxyphenyl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-prop-2-enoxyphenyl)imidazo[1,2-a]pyridin-8-amine is C=CCOc1cccc(-c2nc3c(NC4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)c1.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-prop-2-enoxyphenyl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is QLKWIAJMBCQYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O/c1-2-19-37-24-14-7-9-21(20-24)27-28(25-16-17-31-30(34-25)33-23-12-5-6-13-23)36-18-8-15-26(29(36)35-27)32-22-10-3-4-11-22/h2,7-9,14-18,20,22-23,32H,1,3-6,10-13,19H2,(H,31,33,34).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-prop-2-enoxyphenyl)imidazo[1,2-a]pyridin-8-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-prop-2-enoxyphenyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 494.64 g/mol, XLogP of 6.73, 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-(3-prop-2-enoxyphenyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 10141451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).