3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

C22H25F2N5O3 — CID 162359045

IUPAC3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cncc(OC(F)F)c2)c2ncc(C(=O)N[C@H]3CCCC[C@@H]3O)cc21
InChIInChI=1S/C22H25F2N5O3/c1-12(2)29-17-8-14(21(31)27-16-5-3-4-6-18(16)30)10-26-20(17)19(28-29)13-7-15(11-25-9-13)32-22(23)24/h7-12,16,18,22,30H,3-6H2,1-2H3,(H,27,31)/t16-,18-/m0/s1
InChIKeyTVYSTZYLFOZQLU-WMZOPIPTSA-N
MW445.47 g/mol
LogP3.71
Rot. Bonds6

About 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162359045) has the molecular formula C22H25F2N5O3 and a molecular weight of 445.47 g/mol. Its IUPAC name is 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162359045
Molecular FormulaC22H25F2N5O3
Molecular Weight445.47 g/mol
Exact Mass445.19
IUPAC Name3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cncc(OC(F)F)c2)c2ncc(C(=O)N[C@H]3CCCC[C@@H]3O)cc21
InChIInChI=1S/C22H25F2N5O3/c1-12(2)29-17-8-14(21(31)27-16-5-3-4-6-18(16)30)10-26-20(17)19(28-29)13-7-15(11-25-9-13)32-22(23)24/h7-12,16,18,22,30H,3-6H2,1-2H3,(H,27,31)/t16-,18-/m0/s1
InChIKeyTVYSTZYLFOZQLU-WMZOPIPTSA-N
XLogP3.71
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-(2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-1H-pyrazol-1-yl)acetonitrile
CID 53327269
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280161
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyridazin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 6321193
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyridazin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 15958721
N-[(7S)-4-(5,6-dimethoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide
CID 134278122
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
4-[[(2S)-1-cyclopropyl-3-hydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 155550462
2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 25242540
3-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]propanenitrile
CID 53327579
2-(5,6-dimethoxypyridin-3-yl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 53327629
6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 66743362
2-(5,6-Dimethoxy-3-pyridinyl)-7,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
CID 66743443

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 162359045) is 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(C)n1nc(-c2cncc(OC(F)F)c2)c2ncc(C(=O)N[C@H]3CCCC[C@@H]3O)cc21.
What is the InChIKey of 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is TVYSTZYLFOZQLU-WMZOPIPTSA-N. The full InChI is InChI=1S/C22H25F2N5O3/c1-12(2)29-17-8-14(21(31)27-16-5-3-4-6-18(16)30)10-26-20(17)19(28-29)13-7-15(11-25-9-13)32-22(23)24/h7-12,16,18,22,30H,3-6H2,1-2H3,(H,27,31)/t16-,18-/m0/s1.
What are the key properties of 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 445.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162359045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).