3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide

C27H27N5O3 — CID 41478923

IUPAC3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
SMILESCc1cccn2cc(COc3cccc(C(=O)Nc4cc(C(N)=O)ccc4N4CCCC4)c3)nc12
InChIInChI=1S/C27H27N5O3/c1-18-6-5-13-32-16-21(29-26(18)32)17-35-22-8-4-7-20(14-22)27(34)30-23-15-19(25(28)33)9-10-24(23)31-11-2-3-12-31/h4-10,13-16H,2-3,11-12,17H2,1H3,(H2,28,33)(H,30,34)
InChIKeyOJPOMOZKCQRGRW-UHFFFAOYSA-N
MW469.55 g/mol
LogP4.17
Rot. Bonds7

About 3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide

3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide (PubChem CID 41478923) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
PubChem CID41478923
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
SMILESCc1cccn2cc(COc3cccc(C(=O)Nc4cc(C(N)=O)ccc4N4CCCC4)c3)nc12
InChIInChI=1S/C27H27N5O3/c1-18-6-5-13-32-16-21(29-26(18)32)17-35-22-8-4-7-20(14-22)27(34)30-23-15-19(25(28)33)9-10-24(23)31-11-2-3-12-31/h4-10,13-16H,2-3,11-12,17H2,1H3,(H2,28,33)(H,30,34)
InChIKeyOJPOMOZKCQRGRW-UHFFFAOYSA-N
XLogP4.17
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 16621361
N-(3-iodophenyl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 16621282
N-cyclopentyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 24616136
4-piperidin-1-yl-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]benzamide
CID 55910186
N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 16621528
ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate
CID 46700228
5-ethyl-4-methyl-N'-[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide
CID 24616214
N-[3-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610449
4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-quinolin-8-ylbenzamide
CID 46510382
3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 18291315
N-[2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55972840
N-[1-(3-fluorophenyl)ethyl]-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 24616285

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of 3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide (CID 41478923) is 3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide is Cc1cccn2cc(COc3cccc(C(=O)Nc4cc(C(N)=O)ccc4N4CCCC4)c3)nc12.
What is the InChIKey of 3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is OJPOMOZKCQRGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-18-6-5-13-32-16-21(29-26(18)32)17-35-22-8-4-7-20(14-22)27(34)30-23-15-19(25(28)33)9-10-24(23)31-11-2-3-12-31/h4-10,13-16H,2-3,11-12,17H2,1H3,(H2,28,33)(H,30,34).
What are the key properties of 3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide?
3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 469.55 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 41478923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).