1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline

C28H37F3N8O — CID 121376854

IUPAC1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline
SMILESCN1CCN(C2=NN(C3CCN(C4COC4)CC3)C3CCNCC23)c2cc(C(F)(F)F)c(-c3cnn(C)c3)cc21
InChIInChI=1S/C28H37F3N8O/c1-35-9-10-38(26-12-23(28(29,30)31)21(11-25(26)35)18-13-33-36(2)15-18)27-22-14-32-6-3-24(22)39(34-27)19-4-7-37(8-5-19)20-16-40-17-20/h11-13,15,19-20,22,24,32H,3-10,14,16-17H2,1-2H3
InChIKeyCCXRFMQCJBSQSP-UHFFFAOYSA-N
MW558.65 g/mol
LogP2.83
Rot. Bonds3

About 1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline

1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline (PubChem CID 121376854) has the molecular formula C28H37F3N8O and a molecular weight of 558.65 g/mol. Its IUPAC name is 1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline
PubChem CID121376854
Molecular FormulaC28H37F3N8O
Molecular Weight558.65 g/mol
Exact Mass558.30
IUPAC Name1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline
SMILESCN1CCN(C2=NN(C3CCN(C4COC4)CC3)C3CCNCC23)c2cc(C(F)(F)F)c(-c3cnn(C)c3)cc21
InChIInChI=1S/C28H37F3N8O/c1-35-9-10-38(26-12-23(28(29,30)31)21(11-25(26)35)18-13-33-36(2)15-18)27-22-14-32-6-3-24(22)39(34-27)19-4-7-37(8-5-19)20-16-40-17-20/h11-13,15,19-20,22,24,32H,3-10,14,16-17H2,1-2H3
InChIKeyCCXRFMQCJBSQSP-UHFFFAOYSA-N
XLogP2.83
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.65
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline with MolForge

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Related Compounds

1-methyl-7-(1-methyl-1H-pyrazol-4-yl)-4-(1-(tetrahydro-2H-pyran-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 121365378
1-Methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline
CID 121365478
N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 121373317
1,2-dimethyl-7-(1-methyl-1H-pyrazol-4-yl)-4-(1-(tetrahydro-2H-pyran-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 121373518
N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 121373630
tert-butyl 3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 132152875
1-[5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxaline-1-carboximidoyl]-4-(oxan-4-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 137161599
6-(1,1-Difluorobut-3-enyl)-1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroquinoxaline
CID 139398525
6-(1,1-Difluorobut-3-enyl)-1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroquinoxaline
CID 139398708
5-[3,4-dimethyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxaline-1-carboximidoyl]-N-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-4-amine
CID 139398718
4-[(1-acetylpiperidin-4-yl)amino]-N-methyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxaline-1-carboximidoyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 139398784
N-methyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxaline-1-carboximidoyl]-4-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 139398786

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline?
The IUPAC name of 1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline (CID 121376854) is 1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline?
The canonical SMILES for 1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline is CN1CCN(C2=NN(C3CCN(C4COC4)CC3)C3CCNCC23)c2cc(C(F)(F)F)c(-c3cnn(C)c3)cc21.
What is the InChIKey of 1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline?
The InChIKey is CCXRFMQCJBSQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F3N8O/c1-35-9-10-38(26-12-23(28(29,30)31)21(11-25(26)35)18-13-33-36(2)15-18)27-22-14-32-6-3-24(22)39(34-27)19-4-7-37(8-5-19)20-16-40-17-20/h11-13,15,19-20,22,24,32H,3-10,14,16-17H2,1-2H3.
What are the key properties of 1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline?
1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline has a molecular weight of 558.65 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(1-methylpyrazol-4-yl)-4-[1-[1-(oxetan-3-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroquinoxaline is sourced from PubChem (CID 121376854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).