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

C26H25ClN4O3 — CID 140914690

IUPAC4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cc(CO)c(-c2cn3ccc(-c4ccc(C(=O)NC5CCNC5)cc4)cc3n2)cc1Cl
InChIInChI=1S/C26H25ClN4O3/c1-34-24-10-19(15-32)21(12-22(24)27)23-14-31-9-7-18(11-25(31)30-23)16-2-4-17(5-3-16)26(33)29-20-6-8-28-13-20/h2-5,7,9-12,14,20,28,32H,6,8,13,15H2,1H3,(H,29,33)
InChIKeyGXRKPMHFRLKWFR-UHFFFAOYSA-N
MW476.96 g/mol
LogP3.91
Rot. Bonds6

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

4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide (PubChem CID 140914690) has the molecular formula C26H25ClN4O3 and a molecular weight of 476.96 g/mol. Its IUPAC name is 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide
PubChem CID140914690
Molecular FormulaC26H25ClN4O3
Molecular Weight476.96 g/mol
Exact Mass476.16
IUPAC Name4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cc(CO)c(-c2cn3ccc(-c4ccc(C(=O)NC5CCNC5)cc4)cc3n2)cc1Cl
InChIInChI=1S/C26H25ClN4O3/c1-34-24-10-19(15-32)21(12-22(24)27)23-14-31-9-7-18(11-25(31)30-23)16-2-4-17(5-3-16)26(33)29-20-6-8-28-13-20/h2-5,7,9-12,14,20,28,32H,6,8,13,15H2,1H3,(H,29,33)
InChIKeyGXRKPMHFRLKWFR-UHFFFAOYSA-N
XLogP3.91
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 53.91
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-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide (CID 140914690) is 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide is COc1cc(CO)c(-c2cn3ccc(-c4ccc(C(=O)NC5CCNC5)cc4)cc3n2)cc1Cl.
What is the InChIKey of 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide?
The InChIKey is GXRKPMHFRLKWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3/c1-34-24-10-19(15-32)21(12-22(24)27)23-14-31-9-7-18(11-25(31)30-23)16-2-4-17(5-3-16)26(33)29-20-6-8-28-13-20/h2-5,7,9-12,14,20,28,32H,6,8,13,15H2,1H3,(H,29,33).
What are the key properties of 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide?
4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide has a molecular weight of 476.96 g/mol, XLogP of 3.91, 6 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-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 140914690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).