3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide

C20H24N6O2 — CID 170980361

IUPAC3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide
SMILESCC/C(=N\c1cnn(C2CN(C)C2)c1)c1c(O)[nH]c2ccc(C(=O)NC)cc12
InChIInChI=1S/C20H24N6O2/c1-4-16(23-13-8-22-26(9-13)14-10-25(3)11-14)18-15-7-12(19(27)21-2)5-6-17(15)24-20(18)28/h5-9,14,24,28H,4,10-11H2,1-3H3,(H,21,27)/b23-16+
InChIKeyDBTZUFRSNIOLFM-XQNSMLJCSA-N
MW380.45 g/mol
LogP2.45
Rot. Bonds5

About 3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide

3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide (PubChem CID 170980361) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide
PubChem CID170980361
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide
SMILESCC/C(=N\c1cnn(C2CN(C)C2)c1)c1c(O)[nH]c2ccc(C(=O)NC)cc12
InChIInChI=1S/C20H24N6O2/c1-4-16(23-13-8-22-26(9-13)14-10-25(3)11-14)18-15-7-12(19(27)21-2)5-6-17(15)24-20(18)28/h5-9,14,24,28H,4,10-11H2,1-3H3,(H,21,27)/b23-16+
InChIKeyDBTZUFRSNIOLFM-XQNSMLJCSA-N
XLogP2.45
TPSA98.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide 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-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide
CID 170980468
3-[C-ethyl-N-[1-(1-propan-2-ylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-5-carboxamide
CID 170980439
3-[N-[1-(1-cyclopentylpiperidin-4-yl)pyrazol-4-yl]-C-ethylcarbonimidoyl]-2-hydroxy-N-(2-methylpropyl)-1H-indole-5-carboxamide
CID 170980411
5-bromo-3-[C-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]carbonimidoyl]-1H-indol-2-ol
CID 170980450
1-[3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-1H-indol-5-yl]ethanone
CID 170980351
3-[N-[1-(difluoromethyl)pyrazol-4-yl]-C-ethylcarbonimidoyl]-2-hydroxy-N-(2-methylpropyl)-1H-indole-5-carboxamide
CID 170980354
3-[N-[4-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]phenyl]-C-ethylcarbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide
CID 170980443
[3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-2-hydroxy-1H-indol-5-yl]-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 170980532
5-[cyclopropyl(hydroxy)methyl]-3-[C-ethyl-N-(1-propan-2-ylpyrazol-4-yl)carbonimidoyl]-1H-indol-2-ol
CID 170980467
3-(C-ethyl-N-pyridin-3-ylcarbonimidoyl)-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide
CID 170980308
2-hydroxy-3-[C-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide
CID 137046609
2-hydroxy-3-[N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-C-pyridin-3-ylcarbonimidoyl]-N-[(1R)-1-phenylethyl]-1H-indole-5-carboxamide
CID 137046370

Frequently Asked Questions

What is the IUPAC name of 3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide?
The IUPAC name of 3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide (CID 170980361) is 3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide?
The canonical SMILES for 3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide is CC/C(=N\c1cnn(C2CN(C)C2)c1)c1c(O)[nH]c2ccc(C(=O)NC)cc12.
What is the InChIKey of 3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide?
The InChIKey is DBTZUFRSNIOLFM-XQNSMLJCSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-4-16(23-13-8-22-26(9-13)14-10-25(3)11-14)18-15-7-12(19(27)21-2)5-6-17(15)24-20(18)28/h5-9,14,24,28H,4,10-11H2,1-3H3,(H,21,27)/b23-16+.
What are the key properties of 3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide?
3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[C-ethyl-N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]carbonimidoyl]-2-hydroxy-N-methyl-1H-indole-5-carboxamide is sourced from PubChem (CID 170980361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).