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

C22H29FN4O2 — CID 164613927

IUPAC1-(4-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-c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C22H29FN4O2/c1-22(2,29)16-3-7-18(8-4-16)25-21(28)26-12-11-20-15(14-26)13-24-27(20)19-9-5-17(23)6-10-19/h5-6,9-10,13,16,18,29H,3-4,7-8,11-12,14H2,1-2H3,(H,25,28)
InChIKeyCZLJYPJYFIGCJC-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.41
Rot. Bonds3

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

1-(4-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide (PubChem CID 164613927) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
PubChem CID164613927
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC Name1-(4-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-c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C22H29FN4O2/c1-22(2,29)16-3-7-18(8-4-16)25-21(28)26-12-11-20-15(14-26)13-24-27(20)19-9-5-17(23)6-10-19/h5-6,9-10,13,16,18,29H,3-4,7-8,11-12,14H2,1-2H3,(H,25,28)
InChIKeyCZLJYPJYFIGCJC-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide (CID 164613927) is 1-(4-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-(4-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for 1-(4-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-c3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
The InChIKey is CZLJYPJYFIGCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-22(2,29)16-3-7-18(8-4-16)25-21(28)26-12-11-20-15(14-26)13-24-27(20)19-9-5-17(23)6-10-19/h5-6,9-10,13,16,18,29H,3-4,7-8,11-12,14H2,1-2H3,(H,25,28).
What are the key properties of 1-(4-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
1-(4-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-(4-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 164613927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).