4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide

C19H19N5O2 — CID 121278103

IUPAC4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
SMILESCC1CC(=O)Nc2cccc(C(=O)Nc3nn(C)c4ccccc34)c2N1
InChIInChI=1S/C19H19N5O2/c1-11-10-16(25)21-14-8-5-7-13(17(14)20-11)19(26)22-18-12-6-3-4-9-15(12)24(2)23-18/h3-9,11,20H,10H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyUOMKZSNKCDGWOY-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.97
Rot. Bonds2

About 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide

4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide (PubChem CID 121278103) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
PubChem CID121278103
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
SMILESCC1CC(=O)Nc2cccc(C(=O)Nc3nn(C)c4ccccc34)c2N1
InChIInChI=1S/C19H19N5O2/c1-11-10-16(25)21-14-8-5-7-13(17(14)20-11)19(26)22-18-12-6-3-4-9-15(12)24(2)23-18/h3-9,11,20H,10H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyUOMKZSNKCDGWOY-UHFFFAOYSA-N
XLogP2.97
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide?
The IUPAC name of 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide (CID 121278103) is 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide?
The canonical SMILES for 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide is CC1CC(=O)Nc2cccc(C(=O)Nc3nn(C)c4ccccc34)c2N1.
What is the InChIKey of 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide?
The InChIKey is UOMKZSNKCDGWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-11-10-16(25)21-14-8-5-7-13(17(14)20-11)19(26)22-18-12-6-3-4-9-15(12)24(2)23-18/h3-9,11,20H,10H2,1-2H3,(H,21,25)(H,22,23,26).
What are the key properties of 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide?
4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide is sourced from PubChem (CID 121278103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).