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

C23H18ClF2N5O2 — CID 25270850

IUPAC4-chloro-N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide
SMILESCn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2Cl)c2cnn(-c3c(F)cccc3F)c21
InChIInChI=1S/C23H18ClF2N5O2/c1-30-20(32)10-18(14-11-27-31(23(14)30)21-16(25)3-2-4-17(21)26)29-19-9-12(5-8-15(19)24)22(33)28-13-6-7-13/h2-5,8-11,13,29H,6-7H2,1H3,(H,28,33)
InChIKeyNDZBWSARFURQOO-UHFFFAOYSA-N
MW469.88 g/mol
LogP4.29
Rot. Bonds5

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

4-chloro-N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide (PubChem CID 25270850) has the molecular formula C23H18ClF2N5O2 and a molecular weight of 469.88 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide
PubChem CID25270850
Molecular FormulaC23H18ClF2N5O2
Molecular Weight469.88 g/mol
Exact Mass469.11
IUPAC Name4-chloro-N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide
SMILESCn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2Cl)c2cnn(-c3c(F)cccc3F)c21
InChIInChI=1S/C23H18ClF2N5O2/c1-30-20(32)10-18(14-11-27-31(23(14)30)21-16(25)3-2-4-17(21)26)29-19-9-12(5-8-15(19)24)22(33)28-13-6-7-13/h2-5,8-11,13,29H,6-7H2,1H3,(H,28,33)
InChIKeyNDZBWSARFURQOO-UHFFFAOYSA-N
XLogP4.29
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.88
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide
CID 44631836
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
N-Cyclopropyl-3-(1-(2,4-difluorophenyl)-7-ethyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylbenzamide
CID 25119991
4-Chloro-n-cyclopropyl-3-((1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridin-4-yl)amino)benzamide
CID 25270849
N-cyclopropyl-3-(1-(2,5-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)-4-methylbenzamide
CID 25271186
4-chloro-N-cyclopropyl-3-(7-ethyl-1-(4-fluorophenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)benzamide
CID 45268375
4-chloro-N-cyclopropyl-3-(1-(2,4-difluorophenyl)-7-ethyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)benzamide
CID 45271770

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide (CID 25270850) is 4-chloro-N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide is Cn1c(=O)cc(Nc2cc(C(=O)NC3CC3)ccc2Cl)c2cnn(-c3c(F)cccc3F)c21.
What is the InChIKey of 4-chloro-N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide?
The InChIKey is NDZBWSARFURQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N5O2/c1-30-20(32)10-18(14-11-27-31(23(14)30)21-16(25)3-2-4-17(21)26)29-19-9-12(5-8-15(19)24)22(33)28-13-6-7-13/h2-5,8-11,13,29H,6-7H2,1H3,(H,28,33).
What are the key properties of 4-chloro-N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide?
4-chloro-N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide has a molecular weight of 469.88 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-3-[[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]benzamide is sourced from PubChem (CID 25270850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).