N-cyclopropyl-4-methyl-3-[7-methyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide

C25H24N4O2 — CID 25118219

IUPACN-cyclopropyl-4-methyl-3-[7-methyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3ccccc3C)c2n(C)c1=O
InChIInChI=1S/C25H24N4O2/c1-15-8-9-17(23(30)27-19-10-11-19)12-20(15)21-13-18-14-26-29(24(18)28(3)25(21)31)22-7-5-4-6-16(22)2/h4-9,12-14,19H,10-11H2,1-3H3,(H,27,30)
InChIKeyGPNGBBAQRLTFSI-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.90
Rot. Bonds4

About N-cyclopropyl-4-methyl-3-[7-methyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide

N-cyclopropyl-4-methyl-3-[7-methyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide (PubChem CID 25118219) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[7-methyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[7-methyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide
PubChem CID25118219
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-cyclopropyl-4-methyl-3-[7-methyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3ccccc3C)c2n(C)c1=O
InChIInChI=1S/C25H24N4O2/c1-15-8-9-17(23(30)27-19-10-11-19)12-20(15)21-13-18-14-26-29(24(18)28(3)25(21)31)22-7-5-4-6-16(22)2/h4-9,12-14,19H,10-11H2,1-3H3,(H,27,30)
InChIKeyGPNGBBAQRLTFSI-UHFFFAOYSA-N
XLogP3.90
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[7-methyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[7-methyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide (CID 25118219) is N-cyclopropyl-4-methyl-3-[7-methyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[7-methyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[7-methyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3ccccc3C)c2n(C)c1=O.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[7-methyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide?
The InChIKey is GPNGBBAQRLTFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-15-8-9-17(23(30)27-19-10-11-19)12-20(15)21-13-18-14-26-29(24(18)28(3)25(21)31)22-7-5-4-6-16(22)2/h4-9,12-14,19H,10-11H2,1-3H3,(H,27,30).
What are the key properties of N-cyclopropyl-4-methyl-3-[7-methyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide?
N-cyclopropyl-4-methyl-3-[7-methyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[7-methyl-1-(2-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 25118219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).