1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-phenyl-6,8-dihydropyrazolo[4,5-b][1,4]diazepin-7-one

C26H21N7O — CID 135507267

IUPAC1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-phenyl-6,8-dihydropyrazolo[4,5-b][1,4]diazepin-7-one
SMILESCc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccccc4)nn(C)c3NC(=O)C2)cc1
InChIInChI=1S/C26H21N7O/c1-16-28-21-15-27-13-12-22(21)33(16)19-10-8-17(9-11-19)20-14-23(34)30-26-25(29-20)24(31-32(26)2)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3,(H,30,34)
InChIKeyXTADTKNIFZSDMZ-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.59
Rot. Bonds3

About 1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-phenyl-6,8-dihydropyrazolo[4,5-b][1,4]diazepin-7-one

1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-phenyl-6,8-dihydropyrazolo[4,5-b][1,4]diazepin-7-one (PubChem CID 135507267) has the molecular formula C26H21N7O and a molecular weight of 447.50 g/mol. Its IUPAC name is 1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-phenyl-6,8-dihydropyrazolo[4,5-b][1,4]diazepin-7-one.

Molecular Properties

Compound Name1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-phenyl-6,8-dihydropyrazolo[4,5-b][1,4]diazepin-7-one
PubChem CID135507267
Molecular FormulaC26H21N7O
Molecular Weight447.50 g/mol
Exact Mass447.18
IUPAC Name1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-phenyl-6,8-dihydropyrazolo[4,5-b][1,4]diazepin-7-one
SMILESCc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccccc4)nn(C)c3NC(=O)C2)cc1
InChIInChI=1S/C26H21N7O/c1-16-28-21-15-27-13-12-22(21)33(16)19-10-8-17(9-11-19)20-14-23(34)30-26-25(29-20)24(31-32(26)2)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3,(H,30,34)
InChIKeyXTADTKNIFZSDMZ-UHFFFAOYSA-N
XLogP4.59
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-phenyl-6,8-dihydropyrazolo[4,5-b][1,4]diazepin-7-one?
The IUPAC name of 1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-phenyl-6,8-dihydropyrazolo[4,5-b][1,4]diazepin-7-one (CID 135507267) is 1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-phenyl-6,8-dihydropyrazolo[4,5-b][1,4]diazepin-7-one.
What is the SMILES notation for 1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-phenyl-6,8-dihydropyrazolo[4,5-b][1,4]diazepin-7-one?
The canonical SMILES for 1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-phenyl-6,8-dihydropyrazolo[4,5-b][1,4]diazepin-7-one is Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccccc4)nn(C)c3NC(=O)C2)cc1.
What is the InChIKey of 1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-phenyl-6,8-dihydropyrazolo[4,5-b][1,4]diazepin-7-one?
The InChIKey is XTADTKNIFZSDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O/c1-16-28-21-15-27-13-12-22(21)33(16)19-10-8-17(9-11-19)20-14-23(34)30-26-25(29-20)24(31-32(26)2)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3,(H,30,34).
What are the key properties of 1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-phenyl-6,8-dihydropyrazolo[4,5-b][1,4]diazepin-7-one?
1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-phenyl-6,8-dihydropyrazolo[4,5-b][1,4]diazepin-7-one has a molecular weight of 447.50 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3-phenyl-6,8-dihydropyrazolo[4,5-b][1,4]diazepin-7-one is sourced from PubChem (CID 135507267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).