N-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide

C23H28ClN5O4 — CID 53018048

IUPACN-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)CCC(=O)NCc1ccccc1Cl)C2
InChIInChI=1S/C23H28ClN5O4/c1-27-19-8-9-29(15-17(19)22(26-27)23(32)28-10-12-33-13-11-28)21(31)7-6-20(30)25-14-16-4-2-3-5-18(16)24/h2-5H,6-15H2,1H3,(H,25,30)
InChIKeyMJQWCRPEYKQQAW-UHFFFAOYSA-N
MW473.96 g/mol
LogP1.53
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide

N-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide (PubChem CID 53018048) has the molecular formula C23H28ClN5O4 and a molecular weight of 473.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
PubChem CID53018048
Molecular FormulaC23H28ClN5O4
Molecular Weight473.96 g/mol
Exact Mass473.18
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)CCC(=O)NCc1ccccc1Cl)C2
InChIInChI=1S/C23H28ClN5O4/c1-27-19-8-9-29(15-17(19)22(26-27)23(32)28-10-12-33-13-11-28)21(31)7-6-20(30)25-14-16-4-2-3-5-18(16)24/h2-5H,6-15H2,1H3,(H,25,30)
InChIKeyMJQWCRPEYKQQAW-UHFFFAOYSA-N
XLogP1.53
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(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
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
1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066939
N-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
CID 53017976
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-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066928
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
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
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide?
The IUPAC name of 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) is N-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide is Cn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)CCC(=O)NCc1ccccc1Cl)C2.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide?
The InChIKey is MJQWCRPEYKQQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O4/c1-27-19-8-9-29(15-17(19)22(26-27)23(32)28-10-12-33-13-11-28)21(31)7-6-20(30)25-14-16-4-2-3-5-18(16)24/h2-5H,6-15H2,1H3,(H,25,30).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide?
N-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide has a molecular weight of 473.96 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide is sourced from PubChem (CID 53018048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).