4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide

C28H31N7O — CID 10184407

IUPAC4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc3c(NC4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C28H31N7O/c29-26(36)19-13-11-18(12-14-19)24-25(22-15-16-30-28(33-22)32-21-8-3-4-9-21)35-17-5-10-23(27(35)34-24)31-20-6-1-2-7-20/h5,10-17,20-21,31H,1-4,6-9H2,(H2,29,36)(H,30,32,33)
InChIKeyXITLNGCAGGELBZ-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.27
Rot. Bonds7

About 4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide

4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (PubChem CID 10184407) has the molecular formula C28H31N7O and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
PubChem CID10184407
Molecular FormulaC28H31N7O
Molecular Weight481.60 g/mol
Exact Mass481.26
IUPAC Name4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc3c(NC4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C28H31N7O/c29-26(36)19-13-11-18(12-14-19)24-25(22-15-16-30-28(33-22)32-21-8-3-4-9-21)35-17-5-10-23(27(35)34-24)31-20-6-1-2-7-20/h5,10-17,20-21,31H,1-4,6-9H2,(H2,29,36)(H,30,32,33)
InChIKeyXITLNGCAGGELBZ-UHFFFAOYSA-N
XLogP5.27
TPSA110.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine
CID 10275844
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine
CID 15954556
2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 162139102
3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol
CID 150471195
4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 10180400
ethyl 4-[5-[2-[[(3R)-piperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]benzoate
CID 57463193
3-[(4-phenylpyrimidin-2-yl)amino]cyclohexane-1-carboxamide
CID 117073719
4-[5-[2-[[(1R)-3-(4-chlorophenyl)sulfonylcyclohexyl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-N'-hydroxybenzenecarboximidamide
CID 136649695
N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203
2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 58541830
[(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 57463092
4-[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]-N-piperidin-4-ylpyrimidin-2-amine
CID 143422530

Frequently Asked Questions

What is the IUPAC name of 4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The IUPAC name of 4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (CID 10184407) is 4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The canonical SMILES for 4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is NC(=O)c1ccc(-c2nc3c(NC4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of 4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The InChIKey is XITLNGCAGGELBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O/c29-26(36)19-13-11-18(12-14-19)24-25(22-15-16-30-28(33-22)32-21-8-3-4-9-21)35-17-5-10-23(27(35)34-24)31-20-6-1-2-7-20/h5,10-17,20-21,31H,1-4,6-9H2,(H2,29,36)(H,30,32,33).
What are the key properties of 4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide has a molecular weight of 481.60 g/mol, XLogP of 5.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 10184407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).