N-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide

C24H30N4O2 — CID 20961435

IUPACN-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NC4CCCC4)c(=O)n(C)c32)cc1
InChIInChI=1S/C24H30N4O2/c1-15-9-11-19(12-10-15)28-23-22(17(3)26-28)16(2)20(24(30)27(23)4)13-14-21(29)25-18-7-5-6-8-18/h9-12,18H,5-8,13-14H2,1-4H3,(H,25,29)
InChIKeyPQVRTDFICCETKB-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.64
Rot. Bonds5

About N-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide

N-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide (PubChem CID 20961435) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
PubChem CID20961435
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NC4CCCC4)c(=O)n(C)c32)cc1
InChIInChI=1S/C24H30N4O2/c1-15-9-11-19(12-10-15)28-23-22(17(3)26-28)16(2)20(24(30)27(23)4)13-14-21(29)25-18-7-5-6-8-18/h9-12,18H,5-8,13-14H2,1-4H3,(H,25,29)
InChIKeyPQVRTDFICCETKB-UHFFFAOYSA-N
XLogP3.64
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]butanamide
CID 20919909
N-cyclohexyl-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796215
N-cycloheptyl-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864025
3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(3-methylbutyl)propanamide
CID 20961228
N-cyclooctyl-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615758
3-[7-ethyl-3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 20961231
3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanoic acid
CID 20854873
N-(4-acetylphenyl)-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961608
N-cyclohexyl-N'-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]butanediamide
CID 5186742
N-[(2-ethoxyphenyl)methyl]-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961620
N-[(4-ethoxyphenyl)methyl]-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961623
N-cyclohexyl-3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 50796244

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide (CID 20961435) is N-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide is Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NC4CCCC4)c(=O)n(C)c32)cc1.
What is the InChIKey of N-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide?
The InChIKey is PQVRTDFICCETKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-15-9-11-19(12-10-15)28-23-22(17(3)26-28)16(2)20(24(30)27(23)4)13-14-21(29)25-18-7-5-6-8-18/h9-12,18H,5-8,13-14H2,1-4H3,(H,25,29).
What are the key properties of N-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide?
N-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide has a molecular weight of 406.53 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[3,4,7-trimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide is sourced from PubChem (CID 20961435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).