8-bromo-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one

C22H17BrN6O — CID 10004469

IUPAC8-bromo-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one
SMILESCc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Br)cnc3N(C)C(=O)C2)cc1
InChIInChI=1S/C22H17BrN6O/c1-13-26-19-12-24-8-7-20(19)29(13)16-5-3-14(4-6-16)17-10-21(30)28(2)22-18(27-17)9-15(23)11-25-22/h3-9,11-12H,10H2,1-2H3
InChIKeyINTHZPIXJSURQD-UHFFFAOYSA-N
MW461.32 g/mol
LogP4.37
Rot. Bonds2

About 8-bromo-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one

8-bromo-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one (PubChem CID 10004469) has the molecular formula C22H17BrN6O and a molecular weight of 461.32 g/mol. Its IUPAC name is 8-bromo-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one.

Molecular Properties

Compound Name8-bromo-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one
PubChem CID10004469
Molecular FormulaC22H17BrN6O
Molecular Weight461.32 g/mol
Exact Mass460.06
IUPAC Name8-bromo-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one
SMILESCc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Br)cnc3N(C)C(=O)C2)cc1
InChIInChI=1S/C22H17BrN6O/c1-13-26-19-12-24-8-7-20(19)29(13)16-5-3-14(4-6-16)17-10-21(30)28(2)22-18(27-17)9-15(23)11-25-22/h3-9,11-12H,10H2,1-2H3
InChIKeyINTHZPIXJSURQD-UHFFFAOYSA-N
XLogP4.37
TPSA76.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.32
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[2-(4-Bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 129216564
3-Cyclohexyl-1,8-dimethyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 10027595
1,8-Dimethyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-3-phenyl-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 10322057
7,8-Dimethyl-4-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 10453303
Pentanoic acid {4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444866
(E)-5-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-N-(3-imidazol-1-ylpropyl)-4-oxopent-2-enamide
CID 44564235
2-(6-Bromo-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10047394
2-(6-Bromo-8-methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10574530
2-(8-Bromo-6-methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10812430
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-phenylacetamide
CID 700080
UR-12670
CID 9867789
1,8-Dimethyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-3-pyridin-3-yl-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 9955997

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one?
The IUPAC name of 8-bromo-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one (CID 10004469) is 8-bromo-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one.
What is the SMILES notation for 8-bromo-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one?
The canonical SMILES for 8-bromo-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one is Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Br)cnc3N(C)C(=O)C2)cc1.
What is the InChIKey of 8-bromo-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one?
The InChIKey is INTHZPIXJSURQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN6O/c1-13-26-19-12-24-8-7-20(19)29(13)16-5-3-14(4-6-16)17-10-21(30)28(2)22-18(27-17)9-15(23)11-25-22/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 8-bromo-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one?
8-bromo-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one has a molecular weight of 461.32 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one is sourced from PubChem (CID 10004469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).