1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide

C23H31FN4O2 — CID 164627847

IUPAC1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
SMILESCC(C)(O)C1CCC(CNC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1
InChIInChI=1S/C23H31FN4O2/c1-23(2,30)18-8-6-16(7-9-18)13-25-22(29)27-11-10-21-17(15-27)14-26-28(21)20-5-3-4-19(24)12-20/h3-5,12,14,16,18,30H,6-11,13,15H2,1-2H3,(H,25,29)
InChIKeyOBTBZYWFFKDQDI-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.66
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide

1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide (PubChem CID 164627847) has the molecular formula C23H31FN4O2 and a molecular weight of 414.53 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
PubChem CID164627847
Molecular FormulaC23H31FN4O2
Molecular Weight414.53 g/mol
Exact Mass414.24
IUPAC Name1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
SMILESCC(C)(O)C1CCC(CNC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1
InChIInChI=1S/C23H31FN4O2/c1-23(2,30)18-8-6-16(7-9-18)13-25-22(29)27-11-10-21-17(15-27)14-26-28(21)20-5-3-4-19(24)12-20/h3-5,12,14,16,18,30H,6-11,13,15H2,1-2H3,(H,25,29)
InChIKeyOBTBZYWFFKDQDI-UHFFFAOYSA-N
XLogP3.66
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 155920147
tert-butyl 4-[[1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]amino]piperidine-1-carboxylate
CID 164612890
1-(2-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 164629199
1-(4-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 164613927
N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483861
3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483971
N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483989
N-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484031
3-(4-fluorophenyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484153
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484269
3-(4-fluorophenyl)-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484307
N-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484347

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide (CID 164627847) is 1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide is CC(C)(O)C1CCC(CNC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
The InChIKey is OBTBZYWFFKDQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O2/c1-23(2,30)18-8-6-16(7-9-18)13-25-22(29)27-11-10-21-17(15-27)14-26-28(21)20-5-3-4-19(24)12-20/h3-5,12,14,16,18,30H,6-11,13,15H2,1-2H3,(H,25,29).
What are the key properties of 1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 164627847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).