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

C24H20F2N4O3 — CID 45272642

IUPACN-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Oc1cc(=O)n(C)c2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C24H20F2N4O3/c1-13-3-4-14(23(32)28-16-6-7-16)9-20(13)33-21-11-22(31)29(2)24-17(21)12-27-30(24)19-8-5-15(25)10-18(19)26/h3-5,8-12,16H,6-7H2,1-2H3,(H,28,32)
InChIKeyYKIIZVSLIQDZGJ-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.00
Rot. Bonds5

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

N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide (PubChem CID 45272642) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide
PubChem CID45272642
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC NameN-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Oc1cc(=O)n(C)c2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C24H20F2N4O3/c1-13-3-4-14(23(32)28-16-6-7-16)9-20(13)33-21-11-22(31)29(2)24-17(21)12-27-30(24)19-8-5-15(25)10-18(19)26/h3-5,8-12,16H,6-7H2,1-2H3,(H,28,32)
InChIKeyYKIIZVSLIQDZGJ-UHFFFAOYSA-N
XLogP4.00
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.00
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-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide (CID 45272642) is N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1Oc1cc(=O)n(C)c2c1cnn2-c1ccc(F)cc1F.
What is the InChIKey of N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide?
The InChIKey is YKIIZVSLIQDZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3/c1-13-3-4-14(23(32)28-16-6-7-16)9-20(13)33-21-11-22(31)29(2)24-17(21)12-27-30(24)19-8-5-15(25)10-18(19)26/h3-5,8-12,16H,6-7H2,1-2H3,(H,28,32).
What are the key properties of N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide?
N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide has a molecular weight of 450.45 g/mol, XLogP of 4.00, 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-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide is sourced from PubChem (CID 45272642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).