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

C23H20N6O — CID 10092142

IUPAC7,9-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one
SMILESCc1cc(C)c2c(n1)NC(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2
InChIInChI=1S/C23H20N6O/c1-13-10-14(2)25-23-22(13)27-18(11-21(30)28-23)16-4-6-17(7-5-16)29-15(3)26-19-12-24-9-8-20(19)29/h4-10,12H,11H2,1-3H3,(H,25,28,30)
InChIKeyGCAJJRHKTBPIPQ-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.20
Rot. Bonds2

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

7,9-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one (PubChem CID 10092142) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 7,9-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one.

Molecular Properties

Compound Name7,9-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one
PubChem CID10092142
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name7,9-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one
SMILESCc1cc(C)c2c(n1)NC(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2
InChIInChI=1S/C23H20N6O/c1-13-10-14(2)25-23-22(13)27-18(11-21(30)28-23)16-4-6-17(7-5-16)29-15(3)26-19-12-24-9-8-20(19)29/h4-10,12H,11H2,1-3H3,(H,25,28,30)
InChIKeyGCAJJRHKTBPIPQ-UHFFFAOYSA-N
XLogP4.20
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one?
The IUPAC name of 7,9-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one (CID 10092142) is 7,9-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one.
What is the SMILES notation for 7,9-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one?
The canonical SMILES for 7,9-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one is Cc1cc(C)c2c(n1)NC(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2.
What is the InChIKey of 7,9-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one?
The InChIKey is GCAJJRHKTBPIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-13-10-14(2)25-23-22(13)27-18(11-21(30)28-23)16-4-6-17(7-5-16)29-15(3)26-19-12-24-9-8-20(19)29/h4-10,12H,11H2,1-3H3,(H,25,28,30).
What are the key properties of 7,9-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one?
7,9-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one has a molecular weight of 396.45 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one is sourced from PubChem (CID 10092142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).