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

C27H25N7O3 — CID 10435878

IUPAC5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-8-(morpholine-4-carbonyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one
SMILESCc1nc2cnccc2n1-c1ccc(C2=Nc3cc(C(=O)N4CCOCC4)cnc3N(C)C(=O)C2)cc1
InChIInChI=1S/C27H25N7O3/c1-17-30-23-16-28-8-7-24(23)34(17)20-5-3-18(4-6-20)21-14-25(35)32(2)26-22(31-21)13-19(15-29-26)27(36)33-9-11-37-12-10-33/h3-8,13,15-16H,9-12,14H2,1-2H3
InChIKeySSKQPRHAUWNJAB-UHFFFAOYSA-N
MW495.54 g/mol
LogP3.08
Rot. Bonds3

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

5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-8-(morpholine-4-carbonyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one (PubChem CID 10435878) has the molecular formula C27H25N7O3 and a molecular weight of 495.54 g/mol. Its IUPAC name is 5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-8-(morpholine-4-carbonyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one.

Molecular Properties

Compound Name5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-8-(morpholine-4-carbonyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one
PubChem CID10435878
Molecular FormulaC27H25N7O3
Molecular Weight495.54 g/mol
Exact Mass495.20
IUPAC Name5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-8-(morpholine-4-carbonyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one
SMILESCc1nc2cnccc2n1-c1ccc(C2=Nc3cc(C(=O)N4CCOCC4)cnc3N(C)C(=O)C2)cc1
InChIInChI=1S/C27H25N7O3/c1-17-30-23-16-28-8-7-24(23)34(17)20-5-3-18(4-6-20)21-14-25(35)32(2)26-22(31-21)13-19(15-29-26)27(36)33-9-11-37-12-10-33/h3-8,13,15-16H,9-12,14H2,1-2H3
InChIKeySSKQPRHAUWNJAB-UHFFFAOYSA-N
XLogP3.08
TPSA105.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-8-(morpholine-4-carbonyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one?
The IUPAC name of 5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-8-(morpholine-4-carbonyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one (CID 10435878) is 5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-8-(morpholine-4-carbonyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one.
What is the SMILES notation for 5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-8-(morpholine-4-carbonyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one?
The canonical SMILES for 5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-8-(morpholine-4-carbonyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one is Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(C(=O)N4CCOCC4)cnc3N(C)C(=O)C2)cc1.
What is the InChIKey of 5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-8-(morpholine-4-carbonyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one?
The InChIKey is SSKQPRHAUWNJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O3/c1-17-30-23-16-28-8-7-24(23)34(17)20-5-3-18(4-6-20)21-14-25(35)32(2)26-22(31-21)13-19(15-29-26)27(36)33-9-11-37-12-10-33/h3-8,13,15-16H,9-12,14H2,1-2H3.
What are the key properties of 5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-8-(morpholine-4-carbonyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one?
5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-8-(morpholine-4-carbonyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one has a molecular weight of 495.54 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-8-(morpholine-4-carbonyl)-3H-pyrido[2,3-b][1,4]diazepin-4-one is sourced from PubChem (CID 10435878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).