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

C24H21FN4O3 — CID 45269229

IUPACN-cyclopropyl-3-[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Oc1cc(=O)n(C)c2c1cnn2-c1cccc(F)c1
InChIInChI=1S/C24H21FN4O3/c1-14-6-7-15(23(31)27-17-8-9-17)10-20(14)32-21-12-22(30)28(2)24-19(21)13-26-29(24)18-5-3-4-16(25)11-18/h3-7,10-13,17H,8-9H2,1-2H3,(H,27,31)
InChIKeyQYPQTMUBWFFUFT-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.86
Rot. Bonds5

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

N-cyclopropyl-3-[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide (PubChem CID 45269229) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide
PubChem CID45269229
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC NameN-cyclopropyl-3-[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Oc1cc(=O)n(C)c2c1cnn2-c1cccc(F)c1
InChIInChI=1S/C24H21FN4O3/c1-14-6-7-15(23(31)27-17-8-9-17)10-20(14)32-21-12-22(30)28(2)24-19(21)13-26-29(24)18-5-3-4-16(25)11-18/h3-7,10-13,17H,8-9H2,1-2H3,(H,27,31)
InChIKeyQYPQTMUBWFFUFT-UHFFFAOYSA-N
XLogP3.86
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide (CID 45269229) is N-cyclopropyl-3-[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1Oc1cc(=O)n(C)c2c1cnn2-c1cccc(F)c1.
What is the InChIKey of N-cyclopropyl-3-[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide?
The InChIKey is QYPQTMUBWFFUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-14-6-7-15(23(31)27-17-8-9-17)10-20(14)32-21-12-22(30)28(2)24-19(21)13-26-29(24)18-5-3-4-16(25)11-18/h3-7,10-13,17H,8-9H2,1-2H3,(H,27,31).
What are the key properties of N-cyclopropyl-3-[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide?
N-cyclopropyl-3-[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide has a molecular weight of 432.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide is sourced from PubChem (CID 45269229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).