7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-(1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline

C26H26F2N6 — CID 121365291

IUPAC7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-(1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline
SMILESCn1cc(-c2cc3c(cc2C(F)F)N(c2nn(-c4ccccc4)c4c2CNCC4)CCC3)cn1
InChIInChI=1S/C26H26F2N6/c1-32-16-18(14-30-32)20-12-17-6-5-11-33(24(17)13-21(20)25(27)28)26-22-15-29-10-9-23(22)34(31-26)19-7-3-2-4-8-19/h2-4,7-8,12-14,16,25,29H,5-6,9-11,15H2,1H3
InChIKeyOPENMROXZIZVQR-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.94
Rot. Bonds4

About 7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-(1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline

7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-(1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline (PubChem CID 121365291) has the molecular formula C26H26F2N6 and a molecular weight of 460.53 g/mol. Its IUPAC name is 7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-(1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-(1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline
PubChem CID121365291
Molecular FormulaC26H26F2N6
Molecular Weight460.53 g/mol
Exact Mass460.22
IUPAC Name7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-(1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline
SMILESCn1cc(-c2cc3c(cc2C(F)F)N(c2nn(-c4ccccc4)c4c2CNCC4)CCC3)cn1
InChIInChI=1S/C26H26F2N6/c1-32-16-18(14-30-32)20-12-17-6-5-11-33(24(17)13-21(20)25(27)28)26-22-15-29-10-9-23(22)34(31-26)19-7-3-2-4-8-19/h2-4,7-8,12-14,16,25,29H,5-6,9-11,15H2,1H3
InChIKeyOPENMROXZIZVQR-UHFFFAOYSA-N
XLogP4.94
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-(1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-(1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline (CID 121365291) is 7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-(1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-(1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-(1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline is Cn1cc(-c2cc3c(cc2C(F)F)N(c2nn(-c4ccccc4)c4c2CNCC4)CCC3)cn1.
What is the InChIKey of 7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-(1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is OPENMROXZIZVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6/c1-32-16-18(14-30-32)20-12-17-6-5-11-33(24(17)13-21(20)25(27)28)26-22-15-29-10-9-23(22)34(31-26)19-7-3-2-4-8-19/h2-4,7-8,12-14,16,25,29H,5-6,9-11,15H2,1H3.
What are the key properties of 7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-(1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline?
7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-(1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 460.53 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-(1-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121365291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).