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

C27H27ClN4O3 — CID 154702325

IUPAC4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOc1cc(CO)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCCN5)cc4)cc3n2)cc1Cl
InChIInChI=1S/C27H27ClN4O3/c1-35-25-11-20(16-33)22(13-23(25)28)24-15-32-10-8-19(12-26(32)31-24)17-4-6-18(7-5-17)27(34)30-14-21-3-2-9-29-21/h4-8,10-13,15,21,29,33H,2-3,9,14,16H2,1H3,(H,30,34)
InChIKeyFBVWHCRTUXLRLJ-UHFFFAOYSA-N
MW490.99 g/mol
LogP4.30
Rot. Bonds7

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

4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 154702325) has the molecular formula C27H27ClN4O3 and a molecular weight of 490.99 g/mol. Its IUPAC name is 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID154702325
Molecular FormulaC27H27ClN4O3
Molecular Weight490.99 g/mol
Exact Mass490.18
IUPAC Name4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOc1cc(CO)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCCN5)cc4)cc3n2)cc1Cl
InChIInChI=1S/C27H27ClN4O3/c1-35-25-11-20(16-33)22(13-23(25)28)24-15-32-10-8-19(12-26(32)31-24)17-4-6-18(7-5-17)27(34)30-14-21-3-2-9-29-21/h4-8,10-13,15,21,29,33H,2-3,9,14,16H2,1H3,(H,30,34)
InChIKeyFBVWHCRTUXLRLJ-UHFFFAOYSA-N
XLogP4.30
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.99
LogP ≤ 54.30
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-2-ylmethyl)benzamide?
The IUPAC name of 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide (CID 154702325) is 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide is COc1cc(CO)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCCN5)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-2-ylmethyl)benzamide?
The InChIKey is FBVWHCRTUXLRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O3/c1-35-25-11-20(16-33)22(13-23(25)28)24-15-32-10-8-19(12-26(32)31-24)17-4-6-18(7-5-17)27(34)30-14-21-3-2-9-29-21/h4-8,10-13,15,21,29,33H,2-3,9,14,16H2,1H3,(H,30,34).
What are the key properties of 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide?
4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 490.99 g/mol, XLogP of 4.30, 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-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 154702325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).