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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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).