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

C24H22FN5O2 — CID 25242389

IUPACN-cyclopropyl-3-[[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1cc(=O)n(C)c2c1cnn2-c1cccc(F)c1
InChIInChI=1S/C24H22FN5O2/c1-14-6-7-15(23(32)27-17-8-9-17)10-20(14)28-21-12-22(31)29(2)24-19(21)13-26-30(24)18-5-3-4-16(25)11-18/h3-7,10-13,17,28H,8-9H2,1-2H3,(H,27,32)
InChIKeyUOCHYPXKBQLBLA-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.81
Rot. Bonds5

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

N-cyclopropyl-3-[[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide (PubChem CID 25242389) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide
PubChem CID25242389
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC NameN-cyclopropyl-3-[[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1cc(=O)n(C)c2c1cnn2-c1cccc(F)c1
InChIInChI=1S/C24H22FN5O2/c1-14-6-7-15(23(32)27-17-8-9-17)10-20(14)28-21-12-22(31)29(2)24-19(21)13-26-30(24)18-5-3-4-16(25)11-18/h3-7,10-13,17,28H,8-9H2,1-2H3,(H,27,32)
InChIKeyUOCHYPXKBQLBLA-UHFFFAOYSA-N
XLogP3.81
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Acumapimod
CID 11338127
N-cyclopropyl-3-((1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo(3,4-b)pyridin-4-yl)amino)-4-methylbenzamide
CID 42647297
SR-318
CID 139030333
N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
CID 25118220
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-4-(trifluoromethyl)benzamide
CID 135869418
4-fluoro-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869427
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
CID 145994863
N-Cyclopropyl-3-(1-(2,6-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylbenzamide
CID 25052767
3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide
CID 25118568
N-Cyclopropyl-3-(1-(2,6-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-5-fluoro-4-methylbenzamide
CID 25118571
4-Chloro-N-cyclopropyl-3-(1-(2,6-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 25119291

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]amino]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide (CID 25242389) is N-cyclopropyl-3-[[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1Nc1cc(=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]amino]-4-methylbenzamide?
The InChIKey is UOCHYPXKBQLBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-14-6-7-15(23(32)27-17-8-9-17)10-20(14)28-21-12-22(31)29(2)24-19(21)13-26-30(24)18-5-3-4-16(25)11-18/h3-7,10-13,17,28H,8-9H2,1-2H3,(H,27,32).
What are the key properties of N-cyclopropyl-3-[[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide?
N-cyclopropyl-3-[[1-(3-fluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide has a molecular weight of 431.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 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]amino]-4-methylbenzamide is sourced from PubChem (CID 25242389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).