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

C28H26N6O — CID 71008208

IUPACcyclopropyl-[(3R)-3-[[2-[4-(1H-indazol-4-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC[C@H](Cn2c(-c3ccc(-c4cccc5[nH]ncc45)cc3)nc3cnccc32)C1
InChIInChI=1S/C28H26N6O/c35-28(21-8-9-21)33-13-11-18(16-33)17-34-26-10-12-29-15-25(26)31-27(34)20-6-4-19(5-7-20)22-2-1-3-24-23(22)14-30-32-24/h1-7,10,12,14-15,18,21H,8-9,11,13,16-17H2,(H,30,32)/t18-/m0/s1
InChIKeyGGIBJQXCUDNZRH-SFHVURJKSA-N
MW462.56 g/mol
LogP4.90
Rot. Bonds5

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

cyclopropyl-[(3R)-3-[[2-[4-(1H-indazol-4-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 71008208) has the molecular formula C28H26N6O and a molecular weight of 462.56 g/mol. Its IUPAC name is cyclopropyl-[(3R)-3-[[2-[4-(1H-indazol-4-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R)-3-[[2-[4-(1H-indazol-4-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone
PubChem CID71008208
Molecular FormulaC28H26N6O
Molecular Weight462.56 g/mol
Exact Mass462.22
IUPAC Namecyclopropyl-[(3R)-3-[[2-[4-(1H-indazol-4-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC[C@H](Cn2c(-c3ccc(-c4cccc5[nH]ncc45)cc3)nc3cnccc32)C1
InChIInChI=1S/C28H26N6O/c35-28(21-8-9-21)33-13-11-18(16-33)17-34-26-10-12-29-15-25(26)31-27(34)20-6-4-19(5-7-20)22-2-1-3-24-23(22)14-30-32-24/h1-7,10,12,14-15,18,21H,8-9,11,13,16-17H2,(H,30,32)/t18-/m0/s1
InChIKeyGGIBJQXCUDNZRH-SFHVURJKSA-N
XLogP4.90
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[(3S)-3-[[2-[4-(1H-indazol-6-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 53232522
cyclopropyl-[(3S)-3-[[2-[4-(3H-isoindol-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 161234184
cyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 77147528
cyclopropyl-[(3R)-3-[[2-[4-(1H-indazol-5-yl)phenyl]-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 66579852
[3-[[4-bromo-2-[4-(1H-indazol-6-yl)phenyl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 75954164
cyclopropyl-[(3S)-3-[[6-fluoro-2-[4-(4-fluorophenyl)phenyl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 66579825
cyclopropyl-[(3R)-3-[[2-[4-(4-fluorophenyl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 66579624
[(3R)-3-[[6-bromo-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66579994
cyclopropyl-[(3S)-3-[[2-(4-phenylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 66579894
cyclopropyl-[(3S)-3-[[4-methyl-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 66580226
[(3S)-3-[[7-bromo-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66579663
[(3R)-3-[[5-bromo-6-fluoro-2-(4-phenylphenyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66579603

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R)-3-[[2-[4-(1H-indazol-4-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R)-3-[[2-[4-(1H-indazol-4-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone (CID 71008208) is cyclopropyl-[(3R)-3-[[2-[4-(1H-indazol-4-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R)-3-[[2-[4-(1H-indazol-4-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R)-3-[[2-[4-(1H-indazol-4-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone is O=C(C1CC1)N1CC[C@H](Cn2c(-c3ccc(-c4cccc5[nH]ncc45)cc3)nc3cnccc32)C1.
What is the InChIKey of cyclopropyl-[(3R)-3-[[2-[4-(1H-indazol-4-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is GGIBJQXCUDNZRH-SFHVURJKSA-N. The full InChI is InChI=1S/C28H26N6O/c35-28(21-8-9-21)33-13-11-18(16-33)17-34-26-10-12-29-15-25(26)31-27(34)20-6-4-19(5-7-20)22-2-1-3-24-23(22)14-30-32-24/h1-7,10,12,14-15,18,21H,8-9,11,13,16-17H2,(H,30,32)/t18-/m0/s1.
What are the key properties of cyclopropyl-[(3R)-3-[[2-[4-(1H-indazol-4-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone?
cyclopropyl-[(3R)-3-[[2-[4-(1H-indazol-4-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 462.56 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R)-3-[[2-[4-(1H-indazol-4-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71008208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).