cyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone

C27H24Cl2N4O — CID 71007960

IUPACcyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC[C@H](Cn2c(-c3ccc(-c4ccc(Cl)cc4Cl)cc3)nc3ncccc32)C1
InChIInChI=1S/C27H24Cl2N4O/c28-21-9-10-22(23(29)14-21)18-3-5-19(6-4-18)26-31-25-24(2-1-12-30-25)33(26)16-17-11-13-32(15-17)27(34)20-7-8-20/h1-6,9-10,12,14,17,20H,7-8,11,13,15-16H2/t17-/m0/s1
InChIKeyMLGIAYOHOXCUOX-KRWDZBQOSA-N
MW491.42 g/mol
LogP6.33
Rot. Bonds5

About cyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone

cyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 71007960) has the molecular formula C27H24Cl2N4O and a molecular weight of 491.42 g/mol. Its IUPAC name is cyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone
PubChem CID71007960
Molecular FormulaC27H24Cl2N4O
Molecular Weight491.42 g/mol
Exact Mass490.13
IUPAC Namecyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC[C@H](Cn2c(-c3ccc(-c4ccc(Cl)cc4Cl)cc3)nc3ncccc32)C1
InChIInChI=1S/C27H24Cl2N4O/c28-21-9-10-22(23(29)14-21)18-3-5-19(6-4-18)26-31-25-24(2-1-12-30-25)33(26)16-17-11-13-32(15-17)27(34)20-7-8-20/h1-6,9-10,12,14,17,20H,7-8,11,13,15-16H2/t17-/m0/s1
InChIKeyMLGIAYOHOXCUOX-KRWDZBQOSA-N
XLogP6.33
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.42
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone (CID 71007960) is cyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone is O=C(C1CC1)N1CC[C@H](Cn2c(-c3ccc(-c4ccc(Cl)cc4Cl)cc3)nc3ncccc32)C1.
What is the InChIKey of cyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is MLGIAYOHOXCUOX-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H24Cl2N4O/c28-21-9-10-22(23(29)14-21)18-3-5-19(6-4-18)26-31-25-24(2-1-12-30-25)33(26)16-17-11-13-32(15-17)27(34)20-7-8-20/h1-6,9-10,12,14,17,20H,7-8,11,13,15-16H2/t17-/m0/s1.
What are the key properties of cyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone?
cyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 491.42 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71007960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).