4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-4-ylmethyl)benzamide

C28H29ClN4O3 — CID 135334995

IUPAC4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-4-ylmethyl)benzamide
SMILESCOc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCNCC5)cc4)cc3n2)cc1Cl
InChIInChI=1S/C28H29ClN4O3/c1-35-25-15-26(36-2)23(29)14-22(25)24-17-33-12-9-21(13-27(33)32-24)19-3-5-20(6-4-19)28(34)31-16-18-7-10-30-11-8-18/h3-6,9,12-15,17-18,30H,7-8,10-11,16H2,1-2H3,(H,31,34)
InChIKeyGKMDPCLRIITIMC-UHFFFAOYSA-N
MW505.02 g/mol
LogP5.07
Rot. Bonds7

About 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-4-ylmethyl)benzamide

4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 135334995) has the molecular formula C28H29ClN4O3 and a molecular weight of 505.02 g/mol. Its IUPAC name is 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-4-ylmethyl)benzamide
PubChem CID135334995
Molecular FormulaC28H29ClN4O3
Molecular Weight505.02 g/mol
Exact Mass504.19
IUPAC Name4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-4-ylmethyl)benzamide
SMILESCOc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCNCC5)cc4)cc3n2)cc1Cl
InChIInChI=1S/C28H29ClN4O3/c1-35-25-15-26(36-2)23(29)14-22(25)24-17-33-12-9-21(13-27(33)32-24)19-3-5-20(6-4-19)28(34)31-16-18-7-10-30-11-8-18/h3-6,9,12-15,17-18,30H,7-8,10-11,16H2,1-2H3,(H,31,34)
InChIKeyGKMDPCLRIITIMC-UHFFFAOYSA-N
XLogP5.07
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.02
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-4-ylmethyl)benzamide (CID 135334995) is 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-4-ylmethyl)benzamide is COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCNCC5)cc4)cc3n2)cc1Cl.
What is the InChIKey of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is GKMDPCLRIITIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O3/c1-35-25-15-26(36-2)23(29)14-22(25)24-17-33-12-9-21(13-27(33)32-24)19-3-5-20(6-4-19)28(34)31-16-18-7-10-30-11-8-18/h3-6,9,12-15,17-18,30H,7-8,10-11,16H2,1-2H3,(H,31,34).
What are the key properties of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-4-ylmethyl)benzamide?
4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 505.02 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 135334995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).