2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C23H24F2N4O — CID 19499591

IUPAC2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1ccc2c(c1)CCCN2C(=O)Cn1nc(C)c2c(C(F)F)cc(C3CC3)nc21
InChIInChI=1S/C23H24F2N4O/c1-13-5-8-19-16(10-13)4-3-9-28(19)20(30)12-29-23-21(14(2)27-29)17(22(24)25)11-18(26-23)15-6-7-15/h5,8,10-11,15,22H,3-4,6-7,9,12H2,1-2H3
InChIKeyLQXFASGHEDFHEC-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.84
Rot. Bonds4

About 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 19499591) has the molecular formula C23H24F2N4O and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID19499591
Molecular FormulaC23H24F2N4O
Molecular Weight410.47 g/mol
Exact Mass410.19
IUPAC Name2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1ccc2c(c1)CCCN2C(=O)Cn1nc(C)c2c(C(F)F)cc(C3CC3)nc21
InChIInChI=1S/C23H24F2N4O/c1-13-5-8-19-16(10-13)4-3-9-28(19)20(30)12-29-23-21(14(2)27-29)17(22(24)25)11-18(26-23)15-6-7-15/h5,8,10-11,15,22H,3-4,6-7,9,12H2,1-2H3
InChIKeyLQXFASGHEDFHEC-UHFFFAOYSA-N
XLogP4.84
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 134028095
1-(4-benzylpiperazin-1-yl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 19499475
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 19499621
N-(3-chloro-4-fluorophenyl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499512
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide
CID 19499634
N-(2-adamantyl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499552
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 135093963
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 19499556
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19499534
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19499629
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
CID 19499702
3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343

Frequently Asked Questions

What is the IUPAC name of 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 19499591) is 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is Cc1ccc2c(c1)CCCN2C(=O)Cn1nc(C)c2c(C(F)F)cc(C3CC3)nc21.
What is the InChIKey of 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is LQXFASGHEDFHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O/c1-13-5-8-19-16(10-13)4-3-9-28(19)20(30)12-29-23-21(14(2)27-29)17(22(24)25)11-18(26-23)15-6-7-15/h5,8,10-11,15,22H,3-4,6-7,9,12H2,1-2H3.
What are the key properties of 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 410.47 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 19499591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).