5,7,9-trimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one

C24H22N6O — CID 10386862

IUPAC5,7,9-trimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one
SMILESCc1cc(C)c2c(n1)N(C)C(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2
InChIInChI=1S/C24H22N6O/c1-14-11-15(2)26-24-23(14)28-19(12-22(31)29(24)4)17-5-7-18(8-6-17)30-16(3)27-20-13-25-10-9-21(20)30/h5-11,13H,12H2,1-4H3
InChIKeyZEPIWWFWHKVLGW-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.23
Rot. Bonds2

About 5,7,9-trimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one

5,7,9-trimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one (PubChem CID 10386862) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 5,7,9-trimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one.

Molecular Properties

Compound Name5,7,9-trimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one
PubChem CID10386862
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name5,7,9-trimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one
SMILESCc1cc(C)c2c(n1)N(C)C(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2
InChIInChI=1S/C24H22N6O/c1-14-11-15(2)26-24-23(14)28-19(12-22(31)29(24)4)17-5-7-18(8-6-17)30-16(3)27-20-13-25-10-9-21(20)30/h5-11,13H,12H2,1-4H3
InChIKeyZEPIWWFWHKVLGW-UHFFFAOYSA-N
XLogP4.23
TPSA76.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7,9-trimethyl-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 5,7,9-trimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one (CID 10386862) is 5,7,9-trimethyl-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 5,7,9-trimethyl-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 5,7,9-trimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one is Cc1cc(C)c2c(n1)N(C)C(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2.
What is the InChIKey of 5,7,9-trimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one?
The InChIKey is ZEPIWWFWHKVLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-14-11-15(2)26-24-23(14)28-19(12-22(31)29(24)4)17-5-7-18(8-6-17)30-16(3)27-20-13-25-10-9-21(20)30/h5-11,13H,12H2,1-4H3.
What are the key properties of 5,7,9-trimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-pyrido[2,3-b][1,4]diazepin-4-one?
5,7,9-trimethyl-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 410.48 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,9-trimethyl-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 10386862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).