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

C26H32F2N6O — CID 121376943

IUPAC7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline
SMILESCC1CCN(c2nn(C3CCOCC3)c3c2CNCC3)c2cc(C(F)F)c(-c3cnn(C)c3)cc21
InChIInChI=1S/C26H32F2N6O/c1-16-4-8-33(24-12-21(25(27)28)20(11-19(16)24)17-13-30-32(2)15-17)26-22-14-29-7-3-23(22)34(31-26)18-5-9-35-10-6-18/h11-13,15-16,18,25,29H,3-10,14H2,1-2H3
InChIKeyGZFQAIXCHBIDPR-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.86
Rot. Bonds4

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

7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline (PubChem CID 121376943) has the molecular formula C26H32F2N6O and a molecular weight of 482.58 g/mol. Its IUPAC name is 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline
PubChem CID121376943
Molecular FormulaC26H32F2N6O
Molecular Weight482.58 g/mol
Exact Mass482.26
IUPAC Name7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline
SMILESCC1CCN(c2nn(C3CCOCC3)c3c2CNCC3)c2cc(C(F)F)c(-c3cnn(C)c3)cc21
InChIInChI=1S/C26H32F2N6O/c1-16-4-8-33(24-12-21(25(27)28)20(11-19(16)24)17-13-30-32(2)15-17)26-22-14-29-7-3-23(22)34(31-26)18-5-9-35-10-6-18/h11-13,15-16,18,25,29H,3-10,14H2,1-2H3
InChIKeyGZFQAIXCHBIDPR-UHFFFAOYSA-N
XLogP4.86
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

Gne-781
CID 132275066
Gne-049
CID 121373418
CID 121372947
CID 121372947
CID 121373316
CID 121373316
1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
CID 132451787
CID 121365519
CID 121365519
CID 121372830
CID 121372830
1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372914
1-[1-cyclohexyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373769
CID 121382912
CID 121382912
3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-tetrahydropyran-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 121376963
1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 137646519

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline (CID 121376943) is 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline is CC1CCN(c2nn(C3CCOCC3)c3c2CNCC3)c2cc(C(F)F)c(-c3cnn(C)c3)cc21.
What is the InChIKey of 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is GZFQAIXCHBIDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N6O/c1-16-4-8-33(24-12-21(25(27)28)20(11-19(16)24)17-13-30-32(2)15-17)26-22-14-29-7-3-23(22)34(31-26)18-5-9-35-10-6-18/h11-13,15-16,18,25,29H,3-10,14H2,1-2H3.
What are the key properties of 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline?
7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 482.58 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121376943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).