1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one

C22H24F2N4O2 — CID 60581587

IUPAC1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1cc2nc(C)c(CCC(=O)N3CCCc4cccc(OC(F)F)c43)c(C)n2n1
InChIInChI=1S/C22H24F2N4O2/c1-13-12-19-25-14(2)17(15(3)28(19)26-13)9-10-20(29)27-11-5-7-16-6-4-8-18(21(16)27)30-22(23)24/h4,6,8,12,22H,5,7,9-11H2,1-3H3
InChIKeyQWMKALAQYULYFQ-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.17
Rot. Bonds5

About 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one

1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one (PubChem CID 60581587) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
PubChem CID60581587
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1cc2nc(C)c(CCC(=O)N3CCCc4cccc(OC(F)F)c43)c(C)n2n1
InChIInChI=1S/C22H24F2N4O2/c1-13-12-19-25-14(2)17(15(3)28(19)26-13)9-10-20(29)27-11-5-7-16-6-4-8-18(21(16)27)30-22(23)24/h4,6,8,12,22H,5,7,9-11H2,1-3H3
InChIKeyQWMKALAQYULYFQ-UHFFFAOYSA-N
XLogP4.17
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 86798226
1-(2-benzylpyrrolidin-1-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 46577325
1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 25344438
1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 154737866
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 9489544
5-bromo-2-[4-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 60581553
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 9489833
2-methyl-2-phenyl-1-[4-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 38453977
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 38046949
3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 7129126
N-[4-[8-(difluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]acetamide
CID 60581444
(5-fluoro-2-nitrophenyl) 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 9455314

Frequently Asked Questions

What is the IUPAC name of 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The IUPAC name of 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one (CID 60581587) is 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one.
What is the SMILES notation for 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The canonical SMILES for 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one is Cc1cc2nc(C)c(CCC(=O)N3CCCc4cccc(OC(F)F)c43)c(C)n2n1.
What is the InChIKey of 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The InChIKey is QWMKALAQYULYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c1-13-12-19-25-14(2)17(15(3)28(19)26-13)9-10-20(29)27-11-5-7-16-6-4-8-18(21(16)27)30-22(23)24/h4,6,8,12,22H,5,7,9-11H2,1-3H3.
What are the key properties of 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one has a molecular weight of 414.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one is sourced from PubChem (CID 60581587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).