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

C17H27N7O — CID 97467222

IUPACN-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCN(C)CCN1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1
InChIInChI=1S/C17H27N7O/c1-21(2)6-7-23-5-4-16-18-11-15(24(16)9-8-23)12-19-17(25)14-10-20-22(3)13-14/h10-11,13H,4-9,12H2,1-3H3,(H,19,25)
InChIKeyDIGKHIWJYPETEP-UHFFFAOYSA-N
MW345.45 g/mol
LogP-0.03
Rot. Bonds6

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

N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 97467222) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID97467222
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC NameN-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCN(C)CCN1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1
InChIInChI=1S/C17H27N7O/c1-21(2)6-7-23-5-4-16-18-11-15(24(16)9-8-23)12-19-17(25)14-10-20-22(3)13-14/h10-11,13H,4-9,12H2,1-3H3,(H,19,25)
InChIKeyDIGKHIWJYPETEP-UHFFFAOYSA-N
XLogP-0.03
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 53602016
(1-Methylpyrazol-4-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53614117
N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 97390342
N-[(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 97467591
N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 97467594
1-[[8-[(1-Methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
CID 97519494
N-[2-oxo-2-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
CID 118741151
N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 124039605
(1-Ethyl-5-methylpyrazol-4-yl)-[9-(1-methylpyrazol-4-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 124049413
1-[9-ethyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]-3-(1H-pyrazol-1-yl)-1-propanone
CID 124049457
1-[9-(Propan-2-YL)-5H,6H,7H,8H,9H-imidazo[1,2-A][1,4]diazepin-8-YL]-3-(1H-pyrazol-1-YL)propan-1-one
CID 124049513
N-[2-(3-methylimidazol-4-yl)ethyl]-1-propylpyrazole-4-carboxamide
CID 86798637

Frequently Asked Questions

What is the IUPAC name of N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 97467222) is N-[[7-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide is CN(C)CCN1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1.
What is the InChIKey of N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is DIGKHIWJYPETEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-21(2)6-7-23-5-4-16-18-11-15(24(16)9-8-23)12-19-17(25)14-10-20-22(3)13-14/h10-11,13H,4-9,12H2,1-3H3,(H,19,25).
What are the key properties of N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of -0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 97467222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).