7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide

C20H17N5O3 — CID 134048642

IUPAC7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
SMILESCc1ccc2ncc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c(=O)n2c1
InChIInChI=1S/C20H17N5O3/c1-12-7-8-17-21-9-14(20(28)25(17)10-12)18(26)22-23-19(27)15-11-24(2)16-6-4-3-5-13(15)16/h3-11H,1-2H3,(H,22,26)(H,23,27)
InChIKeyWIODBPXHMBRHMD-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.57
Rot. Bonds2

About 7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide

7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide (PubChem CID 134048642) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide.

Molecular Properties

Compound Name7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
PubChem CID134048642
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
SMILESCc1ccc2ncc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c(=O)n2c1
InChIInChI=1S/C20H17N5O3/c1-12-7-8-17-21-9-14(20(28)25(17)10-12)18(26)22-23-19(27)15-11-24(2)16-6-4-3-5-13(15)16/h3-11H,1-2H3,(H,22,26)(H,23,27)
InChIKeyWIODBPXHMBRHMD-UHFFFAOYSA-N
XLogP1.57
TPSA97.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide?
The IUPAC name of 7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide (CID 134048642) is 7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide.
What is the SMILES notation for 7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide?
The canonical SMILES for 7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide is Cc1ccc2ncc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c(=O)n2c1.
What is the InChIKey of 7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide?
The InChIKey is WIODBPXHMBRHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-12-7-8-17-21-9-14(20(28)25(17)10-12)18(26)22-23-19(27)15-11-24(2)16-6-4-3-5-13(15)16/h3-11H,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide?
7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide has a molecular weight of 375.39 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide is sourced from PubChem (CID 134048642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).