4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide

C23H21F3N4O3 — CID 155727246

IUPAC4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide
SMILESCOc1cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc(OC(F)F)c1C(=O)N[C@@H]1C[C@@H]1F
InChIInChI=1S/C23H21F3N4O3/c1-23(2,11-27)13-4-5-17-14(9-28-30(17)10-13)12-6-18(32-3)20(19(7-12)33-22(25)26)21(31)29-16-8-15(16)24/h4-7,9-10,15-16,22H,8H2,1-3H3,(H,29,31)/t15-,16+/m0/s1
InChIKeyBDTLFPRHEXLZDV-JKSUJKDBSA-N
MW458.44 g/mol
LogP4.25
Rot. Bonds7

About 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide

4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide (PubChem CID 155727246) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide.

Molecular Properties

Compound Name4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide
PubChem CID155727246
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide
SMILESCOc1cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc(OC(F)F)c1C(=O)N[C@@H]1C[C@@H]1F
InChIInChI=1S/C23H21F3N4O3/c1-23(2,11-27)13-4-5-17-14(9-28-30(17)10-13)12-6-18(32-3)20(19(7-12)33-22(25)26)21(31)29-16-8-15(16)24/h4-7,9-10,15-16,22H,8H2,1-3H3,(H,29,31)/t15-,16+/m0/s1
InChIKeyBDTLFPRHEXLZDV-JKSUJKDBSA-N
XLogP4.25
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 5309705
US20240025892, Example 53
CID 164109336
N-(2,4-dimethoxybenzyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16024926
5-methoxy-N-[[3-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 155517108
5-methoxy-N-[[2-methoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 155537123
4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 178302176
4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 59233774
4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-propan-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 59233819
5-[5-(dicyclopropylcarbamoyl)-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 67217776
5-[4-cyclopropyl-2-(trifluoromethoxy)phenyl]-N-(3-fluoropyridin-4-yl)-1-methylpyrazole-3-carboxamide
CID 77844100
N-[3-[4-[3-(4-cyano-2,5-difluorophenyl)-5-(difluoromethoxy)-1-methylpyrazol-4-yl]-2-pyridinyl]propyl]-2-hydroxybenzamide
CID 90465089
4-fluoro-2-(5-fluorohepta-2,4,6-trien-2-yl)-5-[4-methoxy-2-methyl-5-[2-(1-methylcyclopropyl)acetyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 90973731

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide?
The IUPAC name of 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide (CID 155727246) is 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide.
What is the SMILES notation for 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide?
The canonical SMILES for 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide is COc1cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc(OC(F)F)c1C(=O)N[C@@H]1C[C@@H]1F.
What is the InChIKey of 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide?
The InChIKey is BDTLFPRHEXLZDV-JKSUJKDBSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-23(2,11-27)13-4-5-17-14(9-28-30(17)10-13)12-6-18(32-3)20(19(7-12)33-22(25)26)21(31)29-16-8-15(16)24/h4-7,9-10,15-16,22H,8H2,1-3H3,(H,29,31)/t15-,16+/m0/s1.
What are the key properties of 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide?
4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide has a molecular weight of 458.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide is sourced from PubChem (CID 155727246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).