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

C22H27FN4O2 — CID 144973688

IUPAC6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCCCC1)C2
InChIInChI=1S/C22H27FN4O2/c23-17-8-6-16(7-9-17)13-27-19-14-26(11-10-18(19)21(25-27)22(24)29)20(28)12-15-4-2-1-3-5-15/h6-9,15H,1-5,10-14H2,(H2,24,29)
InChIKeyWPAXTLYHPVIMQI-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.02
Rot. Bonds5

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

6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 144973688) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID144973688
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCCCC1)C2
InChIInChI=1S/C22H27FN4O2/c23-17-8-6-16(7-9-17)13-27-19-14-26(11-10-18(19)21(25-27)22(24)29)20(28)12-15-4-2-1-3-5-15/h6-9,15H,1-5,10-14H2,(H2,24,29)
InChIKeyWPAXTLYHPVIMQI-UHFFFAOYSA-N
XLogP3.02
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
AB-Chminaca
CID 44206133
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
Adb-fubinaca
CID 58124399
N-(1-(Aminocarbonyl)-2-methylpropyl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide
CID 70969900
N-((1S)-2-Amino-2-oxo-1-(phenylmethyl)ethyl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide
CID 44206137
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 9954929
N-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride
CID 11397742
N-[[1-(2-cyclohexylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 21252893
5-Fluoro-AB-PINACA
CID 91936927
Ab-chfupyca
CID 122213879
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645919

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide (CID 144973688) is 6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCCCC1)C2.
What is the InChIKey of 6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is WPAXTLYHPVIMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c23-17-8-6-16(7-9-17)13-27-19-14-26(11-10-18(19)21(25-27)22(24)29)20(28)12-15-4-2-1-3-5-15/h6-9,15H,1-5,10-14H2,(H2,24,29).
What are the key properties of 6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 144973688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).