cyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone

C30H29N5O — CID 77147528

IUPACcyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
SMILESCc1cccc2nc(-c3ccc(-c4ccc5[nH]ncc5c4)cc3)n(CC3CCN(C(=O)C4CC4)C3)c12
InChIInChI=1S/C30H29N5O/c1-19-3-2-4-27-28(19)35(18-20-13-14-34(17-20)30(36)23-9-10-23)29(32-27)22-7-5-21(6-8-22)24-11-12-26-25(15-24)16-31-33-26/h2-8,11-12,15-16,20,23H,9-10,13-14,17-18H2,1H3,(H,31,33)
InChIKeyQGXURJCZIOZOGH-UHFFFAOYSA-N
MW475.60 g/mol
LogP5.81
Rot. Bonds5

About cyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone

cyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 77147528) has the molecular formula C30H29N5O and a molecular weight of 475.60 g/mol. Its IUPAC name is cyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
PubChem CID77147528
Molecular FormulaC30H29N5O
Molecular Weight475.60 g/mol
Exact Mass475.24
IUPAC Namecyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
SMILESCc1cccc2nc(-c3ccc(-c4ccc5[nH]ncc5c4)cc3)n(CC3CCN(C(=O)C4CC4)C3)c12
InChIInChI=1S/C30H29N5O/c1-19-3-2-4-27-28(19)35(18-20-13-14-34(17-20)30(36)23-9-10-23)29(32-27)22-7-5-21(6-8-22)24-11-12-26-25(15-24)16-31-33-26/h2-8,11-12,15-16,20,23H,9-10,13-14,17-18H2,1H3,(H,31,33)
InChIKeyQGXURJCZIOZOGH-UHFFFAOYSA-N
XLogP5.81
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone (CID 77147528) is cyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone is Cc1cccc2nc(-c3ccc(-c4ccc5[nH]ncc5c4)cc3)n(CC3CCN(C(=O)C4CC4)C3)c12.
What is the InChIKey of cyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is QGXURJCZIOZOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O/c1-19-3-2-4-27-28(19)35(18-20-13-14-34(17-20)30(36)23-9-10-23)29(32-27)22-7-5-21(6-8-22)24-11-12-26-25(15-24)16-31-33-26/h2-8,11-12,15-16,20,23H,9-10,13-14,17-18H2,1H3,(H,31,33).
What are the key properties of cyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone?
cyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 475.60 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[[2-[4-(1H-indazol-5-yl)phenyl]-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 77147528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).