4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide

C31H28N6O3 — CID 71457554

IUPAC4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide
SMILESCCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2ccc(C(N)=O)cc2)n3Cc2ccc(OC)nc2)n1
InChIInChI=1S/C31H28N6O3/c1-4-23-15-27(28-13-5-19(2)40-28)37(35-23)24-11-12-26-25(16-24)34-31(22-9-7-21(8-10-22)30(32)38)36(26)18-20-6-14-29(39-3)33-17-20/h5-17H,4,18H2,1-3H3,(H2,32,38)
InChIKeyWDPOELJNUAUXKC-UHFFFAOYSA-N
MW532.60 g/mol
LogP5.57
Rot. Bonds8

About 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide

4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide (PubChem CID 71457554) has the molecular formula C31H28N6O3 and a molecular weight of 532.60 g/mol. Its IUPAC name is 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide
PubChem CID71457554
Molecular FormulaC31H28N6O3
Molecular Weight532.60 g/mol
Exact Mass532.22
IUPAC Name4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide
SMILESCCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2ccc(C(N)=O)cc2)n3Cc2ccc(OC)nc2)n1
InChIInChI=1S/C31H28N6O3/c1-4-23-15-27(28-13-5-19(2)40-28)37(35-23)24-11-12-26-25(16-24)34-31(22-9-7-21(8-10-22)30(32)38)36(26)18-20-6-14-29(39-3)33-17-20/h5-17H,4,18H2,1-3H3,(H2,32,38)
InChIKeyWDPOELJNUAUXKC-UHFFFAOYSA-N
XLogP5.57
TPSA113.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.60
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(Furan-2-yl)-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10203891
3-(2-fluorophenyl)-7-(furan-2-yl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406903
4-(Furan-2-yl)-10-[2-(4-pyrazin-2-ylphenyl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 21363905
3-[(2S,4S)-2-ethyloxan-4-yl]-12-(1-methylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 60166171
3-{5-[3-Ethyl-5-(5-Methylfuran-2-Yl)-1h-Pyrazol-1-Yl]-1-[(6-Oxo-1,6-Dihydropyridin-3-Yl)methyl]-1h-Benzimidazol-2-Yl}-4-Hydroxybenzoic Acid
CID 135566712
4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]-N-(2-aminophenyl)benzamide
CID 166633598
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazol-4-yl]-amide
CID 651382
2-(2-furanylmethyl)-3-[[2-(3-pyridinyl)-3H-benzimidazol-5-yl]amino]-3H-isoindol-1-one
CID 5307293
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-N,N-dimethyl-benzamide
CID 44403131
[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-(4-pyridin-4-yl-piperazin-1-yl)-methanone
CID 44403141
[4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-morpholin-4-yl-methanone
CID 44403145
4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-N-(3-imidazol-1-yl-propyl)-benzamide
CID 44403150

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide?
The IUPAC name of 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide (CID 71457554) is 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide?
The canonical SMILES for 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide is CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2ccc(C(N)=O)cc2)n3Cc2ccc(OC)nc2)n1.
What is the InChIKey of 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide?
The InChIKey is WDPOELJNUAUXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O3/c1-4-23-15-27(28-13-5-19(2)40-28)37(35-23)24-11-12-26-25(16-24)34-31(22-9-7-21(8-10-22)30(32)38)36(26)18-20-6-14-29(39-3)33-17-20/h5-17H,4,18H2,1-3H3,(H2,32,38).
What are the key properties of 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide?
4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide has a molecular weight of 532.60 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridinyl)methyl]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 71457554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).