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

C23H31FN4O2 — CID 53066623

IUPACN-[(4-fluorophenyl)methyl]-1-methyl-5-(2-propylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCCC(CCC)C(=O)N1CCc2c(c(C(=O)NCc3ccc(F)cc3)nn2C)C1
InChIInChI=1S/C23H31FN4O2/c1-4-6-17(7-5-2)23(30)28-13-12-20-19(15-28)21(26-27(20)3)22(29)25-14-16-8-10-18(24)11-9-16/h8-11,17H,4-7,12-15H2,1-3H3,(H,25,29)
InChIKeyAXLNNKKBWNEGBU-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.59
Rot. Bonds8

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

N-[(4-fluorophenyl)methyl]-1-methyl-5-(2-propylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066623) has the molecular formula C23H31FN4O2 and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-methyl-5-(2-propylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-methyl-5-(2-propylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53066623
Molecular FormulaC23H31FN4O2
Molecular Weight414.53 g/mol
Exact Mass414.24
IUPAC NameN-[(4-fluorophenyl)methyl]-1-methyl-5-(2-propylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCCC(CCC)C(=O)N1CCc2c(c(C(=O)NCc3ccc(F)cc3)nn2C)C1
InChIInChI=1S/C23H31FN4O2/c1-4-6-17(7-5-2)23(30)28-13-12-20-19(15-28)21(26-27(20)3)22(29)25-14-16-8-10-18(24)11-9-16/h8-11,17H,4-7,12-15H2,1-3H3,(H,25,29)
InChIKeyAXLNNKKBWNEGBU-UHFFFAOYSA-N
XLogP3.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Adb-butinaca
CID 155907792
(3H)granisetron
CID 3510
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
AB-Pinaca
CID 71301472
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
Adb-fubinaca
CID 58124399
App-butinaca
CID 154735174
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide
CID 5311254
Granisetron hydrochloride (JAN/USP)
CID 6918003

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-5-(2-propylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-5-(2-propylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066623) is N-[(4-fluorophenyl)methyl]-1-methyl-5-(2-propylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-methyl-5-(2-propylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-methyl-5-(2-propylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCCC(CCC)C(=O)N1CCc2c(c(C(=O)NCc3ccc(F)cc3)nn2C)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-methyl-5-(2-propylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is AXLNNKKBWNEGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O2/c1-4-6-17(7-5-2)23(30)28-13-12-20-19(15-28)21(26-27(20)3)22(29)25-14-16-8-10-18(24)11-9-16/h8-11,17H,4-7,12-15H2,1-3H3,(H,25,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-methyl-5-(2-propylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-methyl-5-(2-propylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-methyl-5-(2-propylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).