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

C22H29FN4O2 — CID 155920147

IUPAC1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1
InChIInChI=1S/C22H29FN4O2/c1-22(2,29)16-6-8-18(9-7-16)25-21(28)26-11-10-20-15(14-26)13-24-27(20)19-5-3-4-17(23)12-19/h3-5,12-13,16,18,29H,6-11,14H2,1-2H3,(H,25,28)
InChIKeyAPPNXGOPROLJQR-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.41
Rot. Bonds3

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

1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide (PubChem CID 155920147) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
PubChem CID155920147
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC Name1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1
InChIInChI=1S/C22H29FN4O2/c1-22(2,29)16-6-8-18(9-7-16)25-21(28)26-11-10-20-15(14-26)13-24-27(20)19-5-3-4-17(23)12-19/h3-5,12-13,16,18,29H,6-11,14H2,1-2H3,(H,25,28)
InChIKeyAPPNXGOPROLJQR-UHFFFAOYSA-N
XLogP3.41
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]amino]piperidine-1-carboxylate
CID 164612890
1-(3-fluorophenyl)-N-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 164627847
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
3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483971
3-(4-fluorophenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 172443152
3-(4-fluorophenyl)-4-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 172460768
5-Acetyl-6-(1,3-diphenylpyrazol-4-yl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 3605047
3-[2-[(4aR,5R)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]-1,1-dimethylurea
CID 49821823
3-[2-[(4aR,5R)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]-1,1-diethylurea
CID 49822231
1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
CID 57406640
1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
CID 57406641

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-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]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide (CID 155920147) is 1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-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]-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]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide is CC(C)(O)C1CCC(NC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
The InChIKey is APPNXGOPROLJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-22(2,29)16-6-8-18(9-7-16)25-21(28)26-11-10-20-15(14-26)13-24-27(20)19-5-3-4-17(23)12-19/h3-5,12-13,16,18,29H,6-11,14H2,1-2H3,(H,25,28).
What are the key properties of 1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 3.41, 3 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]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 155920147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).