7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one

C14H16N4O — CID 72925991

IUPAC7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2nc(-c3ccccn3)[nH]c2C1
InChIInChI=1S/C14H16N4O/c1-14(2)7-10-11(13(19)16-8-14)18-12(17-10)9-5-3-4-6-15-9/h3-6H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOICCQJKADUWDNG-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.78
Rot. Bonds1

About 7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one

7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (PubChem CID 72925991) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
PubChem CID72925991
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2nc(-c3ccccn3)[nH]c2C1
InChIInChI=1S/C14H16N4O/c1-14(2)7-10-11(13(19)16-8-14)18-12(17-10)9-5-3-4-6-15-9/h3-6H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOICCQJKADUWDNG-UHFFFAOYSA-N
XLogP1.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50985638
7,7-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 135987050
7,7-dimethyl-2-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50975620
7,7-dimethyl-2-[2-(N-methylanilino)ethyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50973954
7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 97193570
7,7-dimethyl-2-(2-pyridin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 56756717
6,6-dimethyl-3-pyridin-2-yl-5,7-dihydro-1H-indazol-4-one
CID 155979817
2-[methoxy(thiophen-2-yl)methyl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50976070
5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione
CID 500949
7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 72843319
2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50982143
2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine
CID 22062972

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The IUPAC name of 7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (CID 72925991) is 7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.
What is the SMILES notation for 7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The canonical SMILES for 7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is CC1(C)CNC(=O)c2nc(-c3ccccn3)[nH]c2C1.
What is the InChIKey of 7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The InChIKey is OICCQJKADUWDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-14(2)7-10-11(13(19)16-8-14)18-12(17-10)9-5-3-4-6-15-9/h3-6H,7-8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one has a molecular weight of 256.31 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 72925991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).