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

C19H24N8O2 — CID 97382308

IUPAC1-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(CN2CCCn3c(nc(CNC(=O)c4cnn(C)c4)cc3=O)C2)cn1
InChIInChI=1S/C19H24N8O2/c1-24-10-14(7-21-24)11-26-4-3-5-27-17(13-26)23-16(6-18(27)28)9-20-19(29)15-8-22-25(2)12-15/h6-8,10,12H,3-5,9,11,13H2,1-2H3,(H,20,29)
InChIKeyCHLPSVVQQHCQND-UHFFFAOYSA-N
MW396.46 g/mol
LogP0.05
Rot. Bonds5

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

1-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 97382308) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 1-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID97382308
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC Name1-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(CN2CCCn3c(nc(CNC(=O)c4cnn(C)c4)cc3=O)C2)cn1
InChIInChI=1S/C19H24N8O2/c1-24-10-14(7-21-24)11-26-4-3-5-27-17(13-26)23-16(6-18(27)28)9-20-19(29)15-8-22-25(2)12-15/h6-8,10,12H,3-5,9,11,13H2,1-2H3,(H,20,29)
InChIKeyCHLPSVVQQHCQND-UHFFFAOYSA-N
XLogP0.05
TPSA102.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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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
3-(4-Methyl-1H-pyrazol-1-YL)-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-3-YL)pyrrolidin-3-YL]propanamide
CID 124038328
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
2-[(Dimethylamino)methyl]-9-[(1-methylpyrazol-4-yl)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one
CID 97382215

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]pyrazole-4-carboxamide (CID 97382308) is 1-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-4-oxo-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-[[9-[(1-methylpyrazol-4-yl)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]pyrazole-4-carboxamide is Cn1cc(CN2CCCn3c(nc(CNC(=O)c4cnn(C)c4)cc3=O)C2)cn1.
What is the InChIKey of 1-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is CHLPSVVQQHCQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-24-10-14(7-21-24)11-26-4-3-5-27-17(13-26)23-16(6-18(27)28)9-20-19(29)15-8-22-25(2)12-15/h6-8,10,12H,3-5,9,11,13H2,1-2H3,(H,20,29).
What are the key properties of 1-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]pyrazole-4-carboxamide?
1-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 396.46 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 97382308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).