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

C24H20F2N4O3 — CID 45268398

IUPACN-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Oc1cc(=O)n(C)c2c1cnn2-c1c(F)cccc1F
InChIInChI=1S/C24H20F2N4O3/c1-13-6-7-14(23(32)28-15-8-9-15)10-19(13)33-20-11-21(31)29(2)24-16(20)12-27-30(24)22-17(25)4-3-5-18(22)26/h3-7,10-12,15H,8-9H2,1-2H3,(H,28,32)
InChIKeyZOSBVSQWSFPSNL-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.00
Rot. Bonds5

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

N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide (PubChem CID 45268398) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide
PubChem CID45268398
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC NameN-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Oc1cc(=O)n(C)c2c1cnn2-c1c(F)cccc1F
InChIInChI=1S/C24H20F2N4O3/c1-13-6-7-14(23(32)28-15-8-9-15)10-19(13)33-20-11-21(31)29(2)24-16(20)12-27-30(24)22-17(25)4-3-5-18(22)26/h3-7,10-12,15H,8-9H2,1-2H3,(H,28,32)
InChIKeyZOSBVSQWSFPSNL-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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Related Compounds

N-cyclopropyl-3-(1-(3-fluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-4-methylbenzamide
CID 45269229
N-{1-[1-(3-methoxybenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenoxypropanamide
CID 24791326
N-cyclopropyl-3-(1-(2,5-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-4-methylbenzamide
CID 45267518
N-cyclopropyl-3-(7-ethyl-1-(4-fluorophenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-4-methylbenzamide
CID 45268376
N-cyclopropyl-3-(1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-4-methylbenzamide
CID 45272642
4-chloro-N-cyclopropyl-3-(1-(2,5-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yloxy)benzamide
CID 45273565
N-{1-[1-(4-fluoro-3-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24790087
N-(1-{1-[2-(difluoromethoxy)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 24791692
5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1284315
3-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-(3-methoxybenzyl)propanamide
CID 16882869
N-(1-{1-[2-(allyloxy)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24790550
N-(2-(5-(4-fluorobenzyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-3-methoxybenzamide
CID 42391421

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide (CID 45268398) is N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1Oc1cc(=O)n(C)c2c1cnn2-c1c(F)cccc1F.
What is the InChIKey of N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide?
The InChIKey is ZOSBVSQWSFPSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3/c1-13-6-7-14(23(32)28-15-8-9-15)10-19(13)33-20-11-21(31)29(2)24-16(20)12-27-30(24)22-17(25)4-3-5-18(22)26/h3-7,10-12,15H,8-9H2,1-2H3,(H,28,32).
What are the key properties of N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide?
N-cyclopropyl-3-[1-(2,6-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-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]oxy-4-methylbenzamide is sourced from PubChem (CID 45268398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).