5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide

C20H20N8O — CID 167875124

IUPAC5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc3n(n2)CCN(C)C3)nnn1-c1cccc2ncccc12
InChIInChI=1S/C20H20N8O/c1-13-19(20(29)22-18-11-14-12-26(2)9-10-27(14)24-18)23-25-28(13)17-7-3-6-16-15(17)5-4-8-21-16/h3-8,11H,9-10,12H2,1-2H3,(H,22,24,29)
InChIKeyPBFXRZPDTJDUDG-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.02
Rot. Bonds3

About 5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide

5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide (PubChem CID 167875124) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide
PubChem CID167875124
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc3n(n2)CCN(C)C3)nnn1-c1cccc2ncccc12
InChIInChI=1S/C20H20N8O/c1-13-19(20(29)22-18-11-14-12-26(2)9-10-27(14)24-18)23-25-28(13)17-7-3-6-16-15(17)5-4-8-21-16/h3-8,11H,9-10,12H2,1-2H3,(H,22,24,29)
InChIKeyPBFXRZPDTJDUDG-UHFFFAOYSA-N
XLogP2.02
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide
CID 75462810
cis-(1S,3R)-3-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676308
(2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 95175654
1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530849
(3-hydroxyazetidin-1-yl)-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone
CID 71919997
ethyl 7-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]-1,3-benzodioxole-5-carboxylate
CID 154752251
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride
CID 120576885
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119546412
[2-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119437288
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119541912
(2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid
CID 125120290
N-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide
CID 86943516

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide (CID 167875124) is 5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide is Cc1c(C(=O)Nc2cc3n(n2)CCN(C)C3)nnn1-c1cccc2ncccc12.
What is the InChIKey of 5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide?
The InChIKey is PBFXRZPDTJDUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c1-13-19(20(29)22-18-11-14-12-26(2)9-10-27(14)24-18)23-25-28(13)17-7-3-6-16-15(17)5-4-8-21-16/h3-8,11H,9-10,12H2,1-2H3,(H,22,24,29).
What are the key properties of 5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide?
5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide is sourced from PubChem (CID 167875124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).