4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-3-ylmethyl)benzamide

C28H29ClN4O3 — CID 140914551

IUPAC4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-3-ylmethyl)benzamide
SMILESCOc1cc(CO)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCCNC5)cc4)cc3n2)cc1Cl
InChIInChI=1S/C28H29ClN4O3/c1-36-26-11-22(17-34)23(13-24(26)29)25-16-33-10-8-21(12-27(33)32-25)19-4-6-20(7-5-19)28(35)31-15-18-3-2-9-30-14-18/h4-8,10-13,16,18,30,34H,2-3,9,14-15,17H2,1H3,(H,31,35)
InChIKeyPDILQXLWUPMIOR-UHFFFAOYSA-N
MW505.02 g/mol
LogP4.55
Rot. Bonds7

About 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-3-ylmethyl)benzamide

4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 140914551) has the molecular formula C28H29ClN4O3 and a molecular weight of 505.02 g/mol. Its IUPAC name is 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-3-ylmethyl)benzamide
PubChem CID140914551
Molecular FormulaC28H29ClN4O3
Molecular Weight505.02 g/mol
Exact Mass504.19
IUPAC Name4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-3-ylmethyl)benzamide
SMILESCOc1cc(CO)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCCNC5)cc4)cc3n2)cc1Cl
InChIInChI=1S/C28H29ClN4O3/c1-36-26-11-22(17-34)23(13-24(26)29)25-16-33-10-8-21(12-27(33)32-25)19-4-6-20(7-5-19)28(35)31-15-18-3-2-9-30-14-18/h4-8,10-13,16,18,30,34H,2-3,9,14-15,17H2,1H3,(H,31,35)
InChIKeyPDILQXLWUPMIOR-UHFFFAOYSA-N
XLogP4.55
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.02
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-3-ylmethyl)benzamide (CID 140914551) is 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-3-ylmethyl)benzamide is COc1cc(CO)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCCNC5)cc4)cc3n2)cc1Cl.
What is the InChIKey of 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is PDILQXLWUPMIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O3/c1-36-26-11-22(17-34)23(13-24(26)29)25-16-33-10-8-21(12-27(33)32-25)19-4-6-20(7-5-19)28(35)31-15-18-3-2-9-30-14-18/h4-8,10-13,16,18,30,34H,2-3,9,14-15,17H2,1H3,(H,31,35).
What are the key properties of 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-3-ylmethyl)benzamide?
4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 505.02 g/mol, XLogP of 4.55, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 140914551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).