1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide

C17H24N6O2 — CID 97467802

IUPAC1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCC(C)N1CCCn2c(nc(CNC(=O)c3cnn(C)c3)cc2=O)C1
InChIInChI=1S/C17H24N6O2/c1-12(2)22-5-4-6-23-15(11-22)20-14(7-16(23)24)9-18-17(25)13-8-19-21(3)10-13/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,18,25)
InChIKeyZIVCRAVTFPFZHL-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.52
Rot. Bonds4

About 1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide

1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 97467802) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID97467802
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCC(C)N1CCCn2c(nc(CNC(=O)c3cnn(C)c3)cc2=O)C1
InChIInChI=1S/C17H24N6O2/c1-12(2)22-5-4-6-23-15(11-22)20-14(7-16(23)24)9-18-17(25)13-8-19-21(3)10-13/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,18,25)
InChIKeyZIVCRAVTFPFZHL-UHFFFAOYSA-N
XLogP0.52
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide (CID 97467802) is 1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide is CC(C)N1CCCn2c(nc(CNC(=O)c3cnn(C)c3)cc2=O)C1.
What is the InChIKey of 1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is ZIVCRAVTFPFZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12(2)22-5-4-6-23-15(11-22)20-14(7-16(23)24)9-18-17(25)13-8-19-21(3)10-13/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,18,25).
What are the key properties of 1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide?
1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-oxo-9-propan-2-yl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 97467802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).