4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide

C22H26ClN5O — CID 92864305

IUPAC4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide
SMILESCc1nc2cccnc2n1-c1cc(C(=O)NCC[C@@H](C)N2CCCC2)ccc1Cl
InChIInChI=1S/C22H26ClN5O/c1-15(27-12-3-4-13-27)9-11-25-22(29)17-7-8-18(23)20(14-17)28-16(2)26-19-6-5-10-24-21(19)28/h5-8,10,14-15H,3-4,9,11-13H2,1-2H3,(H,25,29)/t15-/m1/s1
InChIKeyAGWLZQDTYDTQAB-OAHLLOKOSA-N
MW411.94 g/mol
LogP3.99
Rot. Bonds6

About 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide

4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide (PubChem CID 92864305) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide
PubChem CID92864305
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC Name4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide
SMILESCc1nc2cccnc2n1-c1cc(C(=O)NCC[C@@H](C)N2CCCC2)ccc1Cl
InChIInChI=1S/C22H26ClN5O/c1-15(27-12-3-4-13-27)9-11-25-22(29)17-7-8-18(23)20(14-17)28-16(2)26-19-6-5-10-24-21(19)28/h5-8,10,14-15H,3-4,9,11-13H2,1-2H3,(H,25,29)/t15-/m1/s1
InChIKeyAGWLZQDTYDTQAB-OAHLLOKOSA-N
XLogP3.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 46277437
4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 50758284
4-chloro-N-(furan-2-ylmethyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277417
4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 92886823
N-(2-methoxyethyl)-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277332
4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277432
[4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 46277321
[4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 46277418
3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46277271
2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53069911
1-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylbutyl)isoquinoline-7-carboxamide
CID 53102325
4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 20916291

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide?
The IUPAC name of 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide (CID 92864305) is 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide.
What is the SMILES notation for 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide?
The canonical SMILES for 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide is Cc1nc2cccnc2n1-c1cc(C(=O)NCC[C@@H](C)N2CCCC2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide?
The InChIKey is AGWLZQDTYDTQAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26ClN5O/c1-15(27-12-3-4-13-27)9-11-25-22(29)17-7-8-18(23)20(14-17)28-16(2)26-19-6-5-10-24-21(19)28/h5-8,10,14-15H,3-4,9,11-13H2,1-2H3,(H,25,29)/t15-/m1/s1.
What are the key properties of 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide?
4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide has a molecular weight of 411.94 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide is sourced from PubChem (CID 92864305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).