1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid

C19H17N7O3 — CID 11257822

IUPAC1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid
SMILESCCNC(=O)Nc1nc2c(-n3cc(C(=O)O)cn3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C19H17N7O3/c1-2-21-19(29)25-18-23-14-6-12(11-4-3-5-20-8-11)7-15(16(14)24-18)26-10-13(9-22-26)17(27)28/h3-10H,2H2,1H3,(H,27,28)(H3,21,23,24,25,29)
InChIKeyCMVBEKMHRJVYEF-UHFFFAOYSA-N
MW391.39 g/mol
LogP2.65
Rot. Bonds5

About 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid

1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid (PubChem CID 11257822) has the molecular formula C19H17N7O3 and a molecular weight of 391.39 g/mol. Its IUPAC name is 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid
PubChem CID11257822
Molecular FormulaC19H17N7O3
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC Name1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid
SMILESCCNC(=O)Nc1nc2c(-n3cc(C(=O)O)cn3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C19H17N7O3/c1-2-21-19(29)25-18-23-14-6-12(11-4-3-5-20-8-11)7-15(16(14)24-18)26-10-13(9-22-26)17(27)28/h3-10H,2H2,1H3,(H,27,28)(H3,21,23,24,25,29)
InChIKeyCMVBEKMHRJVYEF-UHFFFAOYSA-N
XLogP2.65
TPSA137.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid 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

3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11314018
3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyrimidin-5-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11393909
1-(1h-Benzoimidazol-2-yl)-1h-pyrazole-4-carboxylic acid
CID 44481885
1-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid
CID 49870967
1-ethyl-3-[6-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea
CID 71655465
1-[4-[[2-[[6-(1-ethylpyrazol-4-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 129245517
3,3,3-trifluoro-1-[4-[[2-[[6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]propan-1-one
CID 129246130
N-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 44530643
N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 44530645
N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 44530647
N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 44530648
ethyl 1-(2-(3-(4-methyl-6-morpholino-1H-benzo[d]imidazol-2-yl)-2-oxo-1,2-dihydropyridin-4-ylamino)ethyl)-1H-pyrazole-4-carboxylate
CID 136036562

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid (CID 11257822) is 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid is CCNC(=O)Nc1nc2c(-n3cc(C(=O)O)cn3)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid?
The InChIKey is CMVBEKMHRJVYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O3/c1-2-21-19(29)25-18-23-14-6-12(11-4-3-5-20-8-11)7-15(16(14)24-18)26-10-13(9-22-26)17(27)28/h3-10H,2H2,1H3,(H,27,28)(H3,21,23,24,25,29).
What are the key properties of 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid?
1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid has a molecular weight of 391.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 11257822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).