7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C28H34F3N7O3 — CID 142290678

IUPAC7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CN(c2c(C(N)=O)cnc3cc(OCC4CC4)ccc23)CCC1C=O.CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C21H25N3O3.C7H9F3N4/c1-13-10-24(7-6-15(13)11-25)20-17-5-4-16(27-12-14-2-3-14)8-19(17)23-9-18(20)21(22)26;1-13-2-3-14-5(4-13)11-12-6(14)7(8,9)10/h4-5,8-9,11,13-15H,2-3,6-7,10,12H2,1H3,(H2,22,26);2-4H2,1H3
InChIKeyQPAZQXQIUOHBER-UHFFFAOYSA-N
MW573.62 g/mol
LogP3.53
Rot. Bonds6

About 7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 142290678) has the molecular formula C28H34F3N7O3 and a molecular weight of 573.62 g/mol. Its IUPAC name is 7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID142290678
Molecular FormulaC28H34F3N7O3
Molecular Weight573.62 g/mol
Exact Mass573.27
IUPAC Name7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CN(c2c(C(N)=O)cnc3cc(OCC4CC4)ccc23)CCC1C=O.CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C21H25N3O3.C7H9F3N4/c1-13-10-24(7-6-15(13)11-25)20-17-5-4-16(27-12-14-2-3-14)8-19(17)23-9-18(20)21(22)26;1-13-2-3-14-5(4-13)11-12-6(14)7(8,9)10/h4-5,8-9,11,13-15H,2-3,6-7,10,12H2,1H3,(H2,22,26);2-4H2,1H3
InChIKeyQPAZQXQIUOHBER-UHFFFAOYSA-N
XLogP3.53
TPSA119.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.62
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

5-Amino-1-tert-butyl-3-[7-(cyclopropylmethoxy)quinolin-3-yl]pyrazole-4-carboxamide
CID 86341934
5-Amino-1-(cyclopropylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
CID 86342144
5-Amino-1-(1-cyclopropylethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
CID 86343243
5-Amino-3-(7-ethoxyquinolin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 117704411
7-(difluoromethoxy)-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide
CID 129247462
[(3S,4S)-1-(3-cyclopropyl-7-methoxyquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134275999
[(3S,4S)-1-(3-chloro-7-methoxyquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134276105
[(3S,4S)-1-[3-chloro-7-(cyclopropylmethoxy)quinolin-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134276111
[(3S,4S)-3-methyl-1-[7-(trifluoromethoxy)quinolin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134276138
3-((7-Methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 57690910
7-(cyclopropylmethoxy)-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carboxamide
CID 134276014
[(3S,4S)-1-[7-(difluoromethoxy)quinolin-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134276026

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 142290678) is 7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC1CN(c2c(C(N)=O)cnc3cc(OCC4CC4)ccc23)CCC1C=O.CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is QPAZQXQIUOHBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.C7H9F3N4/c1-13-10-24(7-6-15(13)11-25)20-17-5-4-16(27-12-14-2-3-14)8-19(17)23-9-18(20)21(22)26;1-13-2-3-14-5(4-13)11-12-6(14)7(8,9)10/h4-5,8-9,11,13-15H,2-3,6-7,10,12H2,1H3,(H2,22,26);2-4H2,1H3.
What are the key properties of 7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 573.62 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxy)-4-(4-formyl-3-methylpiperidin-1-yl)quinoline-3-carboxamide;7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 142290678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).