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

C28H32N6 — CID 10275844

IUPACN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine
SMILESCc1ccc(-c2nc3c(NC4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C28H32N6/c1-19-12-14-20(15-13-19)25-26(23-16-17-29-28(32-23)31-22-9-4-5-10-22)34-18-6-11-24(27(34)33-25)30-21-7-2-3-8-21/h6,11-18,21-22,30H,2-5,7-10H2,1H3,(H,29,31,32)
InChIKeyUTSMIQYHCSZTSP-UHFFFAOYSA-N
MW452.61 g/mol
LogP6.48
Rot. Bonds6

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

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 10275844) has the molecular formula C28H32N6 and a molecular weight of 452.61 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine
PubChem CID10275844
Molecular FormulaC28H32N6
Molecular Weight452.61 g/mol
Exact Mass452.27
IUPAC NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine
SMILESCc1ccc(-c2nc3c(NC4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C28H32N6/c1-19-12-14-20(15-13-19)25-26(23-16-17-29-28(32-23)31-22-9-4-5-10-22)34-18-6-11-24(27(34)33-25)30-21-7-2-3-8-21/h6,11-18,21-22,30H,2-5,7-10H2,1H3,(H,29,31,32)
InChIKeyUTSMIQYHCSZTSP-UHFFFAOYSA-N
XLogP6.48
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.61
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 10184407
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine
CID 15954556
4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 10180400
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
4-[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]-N-piperidin-4-ylpyrimidin-2-amine
CID 143422530
3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol
CID 150471195
N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-1-methylpiperidin-3-yl]pyrimidin-2-amine
CID 143567388
N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 10276224
(1S,5R)-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 58541735
2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 58541830
N-cyclopropyl-4-(3-methylpyrazin-2-yl)pyrimidin-2-amine
CID 114080483

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine (CID 10275844) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine is Cc1ccc(-c2nc3c(NC4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is UTSMIQYHCSZTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6/c1-19-12-14-20(15-13-19)25-26(23-16-17-29-28(32-23)31-22-9-4-5-10-22)34-18-6-11-24(27(34)33-25)30-21-7-2-3-8-21/h6,11-18,21-22,30H,2-5,7-10H2,1H3,(H,29,31,32).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 452.61 g/mol, XLogP of 6.48, 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-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 10275844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).