N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide

C15H20N6O2 — CID 97467225

IUPACN-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCC(=O)N1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1
InChIInChI=1S/C15H20N6O2/c1-11(22)20-4-3-14-16-8-13(21(14)6-5-20)9-17-15(23)12-7-18-19(2)10-12/h7-8,10H,3-6,9H2,1-2H3,(H,17,23)
InChIKeyDRHQLBJUIWSCIV-UHFFFAOYSA-N
MW316.37 g/mol
LogP-0.05
Rot. Bonds3

About N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide

N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 97467225) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID97467225
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCC(=O)N1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1
InChIInChI=1S/C15H20N6O2/c1-11(22)20-4-3-14-16-8-13(21(14)6-5-20)9-17-15(23)12-7-18-19(2)10-12/h7-8,10H,3-6,9H2,1-2H3,(H,17,23)
InChIKeyDRHQLBJUIWSCIV-UHFFFAOYSA-N
XLogP-0.05
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide (CID 97467225) is N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide is CC(=O)N1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1.
What is the InChIKey of N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is DRHQLBJUIWSCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-11(22)20-4-3-14-16-8-13(21(14)6-5-20)9-17-15(23)12-7-18-19(2)10-12/h7-8,10H,3-6,9H2,1-2H3,(H,17,23).
What are the key properties of N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide?
N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 316.37 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 97467225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).