N-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide

C25H33N5O3 — CID 53018008

IUPACN-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
SMILESCc1ccc(CNC(=O)CCC(=O)N2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)cc1
InChIInChI=1S/C25H33N5O3/c1-18-6-8-19(9-7-18)16-26-22(31)10-11-23(32)30-15-12-21-20(17-30)24(27-28(21)2)25(33)29-13-4-3-5-14-29/h6-9H,3-5,10-17H2,1-2H3,(H,26,31)
InChIKeyYLDHLZUBPRDZIX-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.34
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide

N-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide (PubChem CID 53018008) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
PubChem CID53018008
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC NameN-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
SMILESCc1ccc(CNC(=O)CCC(=O)N2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)cc1
InChIInChI=1S/C25H33N5O3/c1-18-6-8-19(9-7-18)16-26-22(31)10-11-23(32)30-15-12-21-20(17-30)24(27-28(21)2)25(33)29-13-4-3-5-14-29/h6-9H,3-5,10-17H2,1-2H3,(H,26,31)
InChIKeyYLDHLZUBPRDZIX-UHFFFAOYSA-N
XLogP2.34
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
CID 53018081
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-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
CID 53017976
N-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
CID 53018048
4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide
CID 53017959
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
5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53018091
4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide
CID 95052827
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butane-1,4-dione
CID 53017967
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
5-[4-[(2-fluorophenyl)methylamino]-4-oxobutanoyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53018144

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide?
The IUPAC name of 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) is N-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide is Cc1ccc(CNC(=O)CCC(=O)N2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide?
The InChIKey is YLDHLZUBPRDZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-18-6-8-19(9-7-18)16-26-22(31)10-11-23(32)30-15-12-21-20(17-30)24(27-28(21)2)25(33)29-13-4-3-5-14-29/h6-9H,3-5,10-17H2,1-2H3,(H,26,31).
What are the key properties of N-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide?
N-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide has a molecular weight of 451.57 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide is sourced from PubChem (CID 53018008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).