3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide

C20H26N6O2 — CID 134127279

IUPAC3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCc1ccc2c(NC(=O)N3CCC4NNC(C(=O)N(C)C)C4C3)cccc2n1
InChIInChI=1S/C20H26N6O2/c1-12-7-8-13-15(21-12)5-4-6-16(13)22-20(28)26-10-9-17-14(11-26)18(24-23-17)19(27)25(2)3/h4-8,14,17-18,23-24H,9-11H2,1-3H3,(H,22,28)
InChIKeyJOSPVDLGDRZCPL-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.33
Rot. Bonds2

About 3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide

3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (PubChem CID 134127279) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
PubChem CID134127279
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCc1ccc2c(NC(=O)N3CCC4NNC(C(=O)N(C)C)C4C3)cccc2n1
InChIInChI=1S/C20H26N6O2/c1-12-7-8-13-15(21-12)5-4-6-16(13)22-20(28)26-10-9-17-14(11-26)18(24-23-17)19(27)25(2)3/h4-8,14,17-18,23-24H,9-11H2,1-3H3,(H,22,28)
InChIKeyJOSPVDLGDRZCPL-UHFFFAOYSA-N
XLogP1.33
TPSA89.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide with MolForge

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Related Compounds

N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 118780526
(3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 125164615
(2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide
CID 125161337
N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513237
1-(2-methylquinolin-5-yl)-3-[(3S)-thiolan-3-yl]urea
CID 97443734
(2R)-N-(2-methylquinolin-5-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 125174117
N-(2-methylquinolin-5-yl)adamantane-1-carboxamide
CID 584801
N-(2-methylquinolin-4-yl)azepane-1-carboxamide
CID 115882563
2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015936
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
3-iodo-N-(2-methylquinolin-5-yl)benzamide
CID 17099145
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (CID 134127279) is 3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is Cc1ccc2c(NC(=O)N3CCC4NNC(C(=O)N(C)C)C4C3)cccc2n1.
What is the InChIKey of 3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The InChIKey is JOSPVDLGDRZCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-12-7-8-13-15(21-12)5-4-6-16(13)22-20(28)26-10-9-17-14(11-26)18(24-23-17)19(27)25(2)3/h4-8,14,17-18,23-24H,9-11H2,1-3H3,(H,22,28).
What are the key properties of 3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 134127279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).