N-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide

C17H23N7O — CID 155496592

IUPACN-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESO=C(NC1CCN(c2cccnn2)CC1)c1cn2c(n1)CCNCC2
InChIInChI=1S/C17H23N7O/c25-17(14-12-24-11-8-18-7-3-15(24)21-14)20-13-4-9-23(10-5-13)16-2-1-6-19-22-16/h1-2,6,12-13,18H,3-5,7-11H2,(H,20,25)
InChIKeyXACFRZRGGDXRBU-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.22
Rot. Bonds3

About N-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide

N-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide (PubChem CID 155496592) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
PubChem CID155496592
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESO=C(NC1CCN(c2cccnn2)CC1)c1cn2c(n1)CCNCC2
InChIInChI=1S/C17H23N7O/c25-17(14-12-24-11-8-18-7-3-15(24)21-14)20-13-4-9-23(10-5-13)16-2-1-6-19-22-16/h1-2,6,12-13,18H,3-5,7-11H2,(H,20,25)
InChIKeyXACFRZRGGDXRBU-UHFFFAOYSA-N
XLogP0.22
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide with MolForge

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Related Compounds

N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide
CID 126771166
2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 166254401
N-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155917461
N-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155497198
N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 110269436
N-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155972943
2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide
CID 124883211
1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119873688
N-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 156586469
pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone
CID 155915231
6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 61403349
4-furo[3,2-c]pyridin-4-yl-N-(1-pyridazin-3-ylpiperidin-4-yl)benzamide
CID 162519533

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide?
The IUPAC name of N-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide (CID 155496592) is N-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide is O=C(NC1CCN(c2cccnn2)CC1)c1cn2c(n1)CCNCC2.
What is the InChIKey of N-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide?
The InChIKey is XACFRZRGGDXRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c25-17(14-12-24-11-8-18-7-3-15(24)21-14)20-13-4-9-23(10-5-13)16-2-1-6-19-22-16/h1-2,6,12-13,18H,3-5,7-11H2,(H,20,25).
What are the key properties of N-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide?
N-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridazin-3-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 155496592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).