N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

C26H31FN4O — CID 110248193

IUPACN-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCC(C)c1ccc(CN2Cc3cn(C)nc3C(C(=O)NCCc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C26H31FN4O/c1-18(2)21-8-4-20(5-9-21)14-31-16-22-15-30(3)29-25(22)24(17-31)26(32)28-13-12-19-6-10-23(27)11-7-19/h4-11,15,18,24H,12-14,16-17H2,1-3H3,(H,28,32)
InChIKeyCSXYDQQXIPHCSG-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.14
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 110248193) has the molecular formula C26H31FN4O and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID110248193
Molecular FormulaC26H31FN4O
Molecular Weight434.56 g/mol
Exact Mass434.25
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCC(C)c1ccc(CN2Cc3cn(C)nc3C(C(=O)NCCc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C26H31FN4O/c1-18(2)21-8-4-20(5-9-21)14-31-16-22-15-30(3)29-25(22)24(17-31)26(32)28-13-12-19-6-10-23(27)11-7-19/h4-11,15,18,24H,12-14,16-17H2,1-3H3,(H,28,32)
InChIKeyCSXYDQQXIPHCSG-UHFFFAOYSA-N
XLogP4.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 92621168
(7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 124995797
(7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 129360922
5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110248188
(7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 129360920
(7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 95806138
6-acetyl-N-[2-(4-fluorophenyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949305
1-[(1S)-1-(4-fluorophenyl)ethyl]-1-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 41096953
1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 45012835
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149096
5-[2-(4-fluorophenoxy)acetyl]-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110248175
2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 46771830

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 110248193) is N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is CC(C)c1ccc(CN2Cc3cn(C)nc3C(C(=O)NCCc3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is CSXYDQQXIPHCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O/c1-18(2)21-8-4-20(5-9-21)14-31-16-22-15-30(3)29-25(22)24(17-31)26(32)28-13-12-19-6-10-23(27)11-7-19/h4-11,15,18,24H,12-14,16-17H2,1-3H3,(H,28,32).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 110248193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).