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

C25H33FN6O3 — CID 53018100

IUPACN-(3-fluorophenyl)-1-methyl-5-[4-oxo-4-(2-piperidin-1-ylethylamino)butanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(F)c2)c2c1CCN(C(=O)CCC(=O)NCCN1CCCCC1)C2
InChIInChI=1S/C25H33FN6O3/c1-30-21-10-14-32(23(34)9-8-22(33)27-11-15-31-12-3-2-4-13-31)17-20(21)24(29-30)25(35)28-19-7-5-6-18(26)16-19/h5-7,16H,2-4,8-15,17H2,1H3,(H,27,33)(H,28,35)
InChIKeyVKWCMSKIUYOSJP-UHFFFAOYSA-N
MW484.58 g/mol
LogP2.08
Rot. Bonds8

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

N-(3-fluorophenyl)-1-methyl-5-[4-oxo-4-(2-piperidin-1-ylethylamino)butanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53018100) has the molecular formula C25H33FN6O3 and a molecular weight of 484.58 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-methyl-5-[4-oxo-4-(2-piperidin-1-ylethylamino)butanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-methyl-5-[4-oxo-4-(2-piperidin-1-ylethylamino)butanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53018100
Molecular FormulaC25H33FN6O3
Molecular Weight484.58 g/mol
Exact Mass484.26
IUPAC NameN-(3-fluorophenyl)-1-methyl-5-[4-oxo-4-(2-piperidin-1-ylethylamino)butanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(F)c2)c2c1CCN(C(=O)CCC(=O)NCCN1CCCCC1)C2
InChIInChI=1S/C25H33FN6O3/c1-30-21-10-14-32(23(34)9-8-22(33)27-11-15-31-12-3-2-4-13-31)17-20(21)24(29-30)25(35)28-19-7-5-6-18(26)16-19/h5-7,16H,2-4,8-15,17H2,1H3,(H,27,33)(H,28,35)
InChIKeyVKWCMSKIUYOSJP-UHFFFAOYSA-N
XLogP2.08
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53018091
5-[4-(cyclopentylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53011275
1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53018139
5-[4-[(2-fluorophenyl)methylamino]-4-oxobutanoyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53018144
N-(3-methylbutyl)-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
CID 53017958
N-[(4-ethylphenyl)methyl]-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
CID 53017996
N-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
CID 53018008
4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]-4-oxobutanamide
CID 53018039
N-(3-fluorophenyl)-5-[[2-oxo-2-(2-piperidin-1-ylethylamino)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46320035
N-(3-fluorophenyl)-2-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]acetamide
CID 111416777
N-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
CID 53017976
1-methyl-N-(3-methylsulfanylphenyl)-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066842

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-methyl-5-[4-oxo-4-(2-piperidin-1-ylethylamino)butanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-methyl-5-[4-oxo-4-(2-piperidin-1-ylethylamino)butanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53018100) is N-(3-fluorophenyl)-1-methyl-5-[4-oxo-4-(2-piperidin-1-ylethylamino)butanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-methyl-5-[4-oxo-4-(2-piperidin-1-ylethylamino)butanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-methyl-5-[4-oxo-4-(2-piperidin-1-ylethylamino)butanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)Nc2cccc(F)c2)c2c1CCN(C(=O)CCC(=O)NCCN1CCCCC1)C2.
What is the InChIKey of N-(3-fluorophenyl)-1-methyl-5-[4-oxo-4-(2-piperidin-1-ylethylamino)butanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is VKWCMSKIUYOSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O3/c1-30-21-10-14-32(23(34)9-8-22(33)27-11-15-31-12-3-2-4-13-31)17-20(21)24(29-30)25(35)28-19-7-5-6-18(26)16-19/h5-7,16H,2-4,8-15,17H2,1H3,(H,27,33)(H,28,35).
What are the key properties of N-(3-fluorophenyl)-1-methyl-5-[4-oxo-4-(2-piperidin-1-ylethylamino)butanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-(3-fluorophenyl)-1-methyl-5-[4-oxo-4-(2-piperidin-1-ylethylamino)butanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-methyl-5-[4-oxo-4-(2-piperidin-1-ylethylamino)butanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53018100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).