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

C22H33N5O3 — CID 53017976

IUPACN-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
SMILESCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)CCC(=O)NC1CCCCC1)C2
InChIInChI=1S/C22H33N5O3/c1-25-18-11-14-27(15-17(18)21(24-25)22(30)26-12-5-6-13-26)20(29)10-9-19(28)23-16-7-3-2-4-8-16/h16H,2-15H2,1H3,(H,23,28)
InChIKeyDVLYHQYOOAMPPP-UHFFFAOYSA-N
MW415.54 g/mol
LogP1.77
Rot. Bonds5

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

N-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide (PubChem CID 53017976) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
PubChem CID53017976
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC NameN-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
SMILESCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)CCC(=O)NC1CCCCC1)C2
InChIInChI=1S/C22H33N5O3/c1-25-18-11-14-27(15-17(18)21(24-25)22(30)26-12-5-6-13-26)20(29)10-9-19(28)23-16-7-3-2-4-8-16/h16H,2-15H2,1H3,(H,23,28)
InChIKeyDVLYHQYOOAMPPP-UHFFFAOYSA-N
XLogP1.77
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide with MolForge

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Related Compounds

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
5-[4-(cyclopentylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53011275
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
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-[(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
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
(5-cyclopropyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
CID 163198682
1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 50830869
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
N-cyclopentyl-1-methyl-5-(4-piperidin-1-ylbenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26228822
(3R)-1-[5-[2-(4-chlorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 95052903

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide?
The IUPAC name of N-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide (CID 53017976) is N-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide.
What is the SMILES notation for N-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide?
The canonical SMILES for N-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide is Cn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)CCC(=O)NC1CCCCC1)C2.
What is the InChIKey of N-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide?
The InChIKey is DVLYHQYOOAMPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-25-18-11-14-27(15-17(18)21(24-25)22(30)26-12-5-6-13-26)20(29)10-9-19(28)23-16-7-3-2-4-8-16/h16H,2-15H2,1H3,(H,23,28).
What are the key properties of N-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide?
N-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide has a molecular weight of 415.54 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide is sourced from PubChem (CID 53017976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).