[(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone

C22H23BrN4O — CID 123440872

IUPAC[(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
SMILESCc1cnc2c(c1)nc(-c1ccc(Br)cc1)n2C[C@H]1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C22H23BrN4O/c1-14-10-19-21(24-11-14)27(20(25-19)16-4-6-18(23)7-5-16)13-15-8-9-26(12-15)22(28)17-2-3-17/h4-7,10-11,15,17H,2-3,8-9,12-13H2,1H3/t15-/m0/s1
InChIKeyDDNNQZRDPOWIIG-HNNXBMFYSA-N
MW439.36 g/mol
LogP4.43
Rot. Bonds4

About [(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone

[(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone (PubChem CID 123440872) has the molecular formula C22H23BrN4O and a molecular weight of 439.36 g/mol. Its IUPAC name is [(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
PubChem CID123440872
Molecular FormulaC22H23BrN4O
Molecular Weight439.36 g/mol
Exact Mass438.11
IUPAC Name[(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
SMILESCc1cnc2c(c1)nc(-c1ccc(Br)cc1)n2C[C@H]1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C22H23BrN4O/c1-14-10-19-21(24-11-14)27(20(25-19)16-4-6-18(23)7-5-16)13-15-8-9-26(12-15)22(28)17-2-3-17/h4-7,10-11,15,17H,2-3,8-9,12-13H2,1H3/t15-/m0/s1
InChIKeyDDNNQZRDPOWIIG-HNNXBMFYSA-N
XLogP4.43
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[[2-(4-bromophenyl)-6-chloroimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 123986704
[(3R)-3-[[6-bromo-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66579994
[3-[[6-bromo-2-[4-(4-methoxyphenyl)phenyl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 77147673
5-(4-bromophenyl)-4-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-1,2,4-triazol-3-one
CID 86689386
[(3S)-3-[[2-(4-bromophenyl)imidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 86691132
[(3S)-3-[[7-bromo-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66579663
[(3S)-3-[[2-[4-(1-benzofuran-5-yl)phenyl]-6-bromobenzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66579551
cyclopropyl-[(3S)-3-[[6-fluoro-2-[4-(4-fluorophenyl)phenyl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 66579825
[(3R)-3-[[5-bromo-6-fluoro-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66579603
[(3R)-3-[[7-bromo-2-[4-(4-methoxyphenyl)phenyl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66579362
cyclopropyl-[(3R)-3-[[2-[4-(4-fluorophenyl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 66579624
cyclopropyl-[(3S)-3-[[2-[4-(3H-inden-5-yl)phenyl]-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]methanone
CID 160887441

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone (CID 123440872) is [(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone is Cc1cnc2c(c1)nc(-c1ccc(Br)cc1)n2C[C@H]1CCN(C(=O)C2CC2)C1.
What is the InChIKey of [(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone?
The InChIKey is DDNNQZRDPOWIIG-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23BrN4O/c1-14-10-19-21(24-11-14)27(20(25-19)16-4-6-18(23)7-5-16)13-15-8-9-26(12-15)22(28)17-2-3-17/h4-7,10-11,15,17H,2-3,8-9,12-13H2,1H3/t15-/m0/s1.
What are the key properties of [(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone?
[(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone has a molecular weight of 439.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 123440872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).