2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one

C25H23N5O — CID 91618213

IUPAC2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
SMILESCc1ccc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)nc1
InChIInChI=1S/C25H23N5O/c1-16-5-8-21(26-12-16)19-3-2-4-20-18(19)9-10-30-23(20)11-24(27-13-25(30)31)29-14-22(28-15-29)17-6-7-17/h2-5,8,11-12,14-15,17H,6-7,9-10,13H2,1H3
InChIKeyZAZKOYPCZNZCED-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.82
Rot. Bonds2

About 2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one

2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one (PubChem CID 91618213) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one.

Molecular Properties

Compound Name2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
PubChem CID91618213
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
SMILESCc1ccc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)nc1
InChIInChI=1S/C25H23N5O/c1-16-5-8-21(26-12-16)19-3-2-4-20-18(19)9-10-30-23(20)11-24(27-13-25(30)31)29-14-22(28-15-29)17-6-7-17/h2-5,8,11-12,14-15,17H,6-7,9-10,13H2,1H3
InChIKeyZAZKOYPCZNZCED-UHFFFAOYSA-N
XLogP3.82
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Imidazopyridine 12a
CID 5329347
Imidazopyridine 18a
CID 5329351
Imidazopyridine 18d
CID 5329354
1-[4-[(2-Methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 10523594
(E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one
CID 10620326
1-[4-[(2-Methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylprop-2-en-1-one
CID 10812840
1-[4-[(2-Methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylhexan-1-one
CID 11795533
N,N-diethyl-2-(5-oxo-2-phenylimidazo[1,2-c]quinazolin-6-yl)acetamide
CID 15136019
2-(5-oxo-2-phenylimidazo[1,2-c]quinazolin-6-yl)-N,N-dipropylacetamide
CID 15136036
1-(8-(2,6-dimethylbenzylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl)pyridin-2(1H)-one
CID 24888487
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(isoquinolin-5-ylmethylidene)piperazine-2,5-dione
CID 25003169
1-(8-(2,6-Dimethylbenzylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl)piperidin-2-one
CID 44583561

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one?
The IUPAC name of 2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one (CID 91618213) is 2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one.
What is the SMILES notation for 2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one?
The canonical SMILES for 2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one is Cc1ccc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)nc1.
What is the InChIKey of 2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one?
The InChIKey is ZAZKOYPCZNZCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-16-5-8-21(26-12-16)19-3-2-4-20-18(19)9-10-30-23(20)11-24(27-13-25(30)31)29-14-22(28-15-29)17-6-7-17/h2-5,8,11-12,14-15,17H,6-7,9-10,13H2,1H3.
What are the key properties of 2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one?
2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one has a molecular weight of 409.49 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylimidazol-1-yl)-9-(5-methyl-2-pyridinyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one is sourced from PubChem (CID 91618213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).