2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide

C15H19N7O3 — CID 97467804

IUPAC2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide
SMILESCn1cc(C(=O)NCc2cc(=O)n3c(n2)CN(C(N)=O)CCC3)cn1
InChIInChI=1S/C15H19N7O3/c1-20-8-10(6-18-20)14(24)17-7-11-5-13(23)22-4-2-3-21(15(16)25)9-12(22)19-11/h5-6,8H,2-4,7,9H2,1H3,(H2,16,25)(H,17,24)
InChIKeySTBYYMGAZVKRLB-UHFFFAOYSA-N
MW345.36 g/mol
LogP-0.81
Rot. Bonds3

About 2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide

2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide (PubChem CID 97467804) has the molecular formula C15H19N7O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide.

Molecular Properties

Compound Name2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide
PubChem CID97467804
Molecular FormulaC15H19N7O3
Molecular Weight345.36 g/mol
Exact Mass345.15
IUPAC Name2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide
SMILESCn1cc(C(=O)NCc2cc(=O)n3c(n2)CN(C(N)=O)CCC3)cn1
InChIInChI=1S/C15H19N7O3/c1-20-8-10(6-18-20)14(24)17-7-11-5-13(23)22-4-2-3-21(15(16)25)9-12(22)19-11/h5-6,8H,2-4,7,9H2,1H3,(H2,16,25)(H,17,24)
InChIKeySTBYYMGAZVKRLB-UHFFFAOYSA-N
XLogP-0.81
TPSA128.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-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

4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one
CID 137049105
N-[[9-(3-fluorocyclobutanecarbonyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 129556077
N-[[9-(1-fluorocyclobutanecarbonyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 129556090
N-[[9-(1-fluorocyclopropanecarbonyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 129556108
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;2,2,2-trifluoroacetic acid
CID 155827580
N-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155860236
1-methyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide
CID 97390446
1-methyl-N-[(9-methyl-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide
CID 97390447
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
7-(1-Propan-2-ylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136164812
N-[(9-acetyl-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 155900431
1-Ethyl-3-(1,2,3,4-tetrahydropurin-7-yl)pyrazole-4-carboxamide
CID 89895475

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide?
The IUPAC name of 2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide (CID 97467804) is 2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide.
What is the SMILES notation for 2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide?
The canonical SMILES for 2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide is Cn1cc(C(=O)NCc2cc(=O)n3c(n2)CN(C(N)=O)CCC3)cn1.
What is the InChIKey of 2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide?
The InChIKey is STBYYMGAZVKRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O3/c1-20-8-10(6-18-20)14(24)17-7-11-5-13(23)22-4-2-3-21(15(16)25)9-12(22)19-11/h5-6,8H,2-4,7,9H2,1H3,(H2,16,25)(H,17,24).
What are the key properties of 2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide?
2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide has a molecular weight of 345.36 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide is sourced from PubChem (CID 97467804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).