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

C24H21FN4O2 — CID 46197240

IUPACN-cyclopropyl-3-[1-(2-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3ccccc3F)c2n(C)c1=O
InChIInChI=1S/C24H21FN4O2/c1-14-7-8-15(22(30)27-17-9-10-17)11-18(14)19-12-16-13-26-29(23(16)28(2)24(19)31)21-6-4-3-5-20(21)25/h3-8,11-13,17H,9-10H2,1-2H3,(H,27,30)
InChIKeyGYWNOAVEKDTRBQ-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.73
Rot. Bonds4

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

N-cyclopropyl-3-[1-(2-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide (PubChem CID 46197240) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(2-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(2-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide
PubChem CID46197240
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC NameN-cyclopropyl-3-[1-(2-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3ccccc3F)c2n(C)c1=O
InChIInChI=1S/C24H21FN4O2/c1-14-7-8-15(22(30)27-17-9-10-17)11-18(14)19-12-16-13-26-29(23(16)28(2)24(19)31)21-6-4-3-5-20(21)25/h3-8,11-13,17H,9-10H2,1-2H3,(H,27,30)
InChIKeyGYWNOAVEKDTRBQ-UHFFFAOYSA-N
XLogP3.73
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(2-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(2-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide (CID 46197240) is N-cyclopropyl-3-[1-(2-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(2-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(2-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3ccccc3F)c2n(C)c1=O.
What is the InChIKey of N-cyclopropyl-3-[1-(2-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide?
The InChIKey is GYWNOAVEKDTRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-14-7-8-15(22(30)27-17-9-10-17)11-18(14)19-12-16-13-26-29(23(16)28(2)24(19)31)21-6-4-3-5-20(21)25/h3-8,11-13,17H,9-10H2,1-2H3,(H,27,30).
What are the key properties of N-cyclopropyl-3-[1-(2-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-(2-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide has a molecular weight of 416.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(2-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide is sourced from PubChem (CID 46197240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).