5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one

C23H23F2N7O — CID 166120884

IUPAC5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one
SMILESCC(C)n1ccc(=O)c2c(F)cc(-c3nc(Nc4cc5n(n4)CCN(C)C5)ncc3F)cc21
InChIInChI=1S/C23H23F2N7O/c1-13(2)31-5-4-19(33)21-16(24)8-14(9-18(21)31)22-17(25)11-26-23(28-22)27-20-10-15-12-30(3)6-7-32(15)29-20/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,26,27,28,29)
InChIKeyLMMHNEGNOYAKQQ-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.70
Rot. Bonds4

About 5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one

5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one (PubChem CID 166120884) has the molecular formula C23H23F2N7O and a molecular weight of 451.48 g/mol. Its IUPAC name is 5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one.

Molecular Properties

Compound Name5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one
PubChem CID166120884
Molecular FormulaC23H23F2N7O
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one
SMILESCC(C)n1ccc(=O)c2c(F)cc(-c3nc(Nc4cc5n(n4)CCN(C)C5)ncc3F)cc21
InChIInChI=1S/C23H23F2N7O/c1-13(2)31-5-4-19(33)21-16(24)8-14(9-18(21)31)22-17(25)11-26-23(28-22)27-20-10-15-12-30(3)6-7-32(15)29-20/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,26,27,28,29)
InChIKeyLMMHNEGNOYAKQQ-UHFFFAOYSA-N
XLogP3.70
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
CID 139390288
1-[8-fluoro-6-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 166121165
5-[[5-fluoro-4-(5-fluoro-4-oxo-1-propan-2-ylquinolin-7-yl)pyrimidin-2-yl]amino]-2-piperazin-1-ylbenzonitrile
CID 166121031
5-fluoro-7-[5-fluoro-2-(3-methoxy-4-piperazin-1-ylanilino)pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one
CID 166120867
5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 175582344
1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 138536192
6-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]amino]-5-fluoropyrimidin-4-yl]-8-fluoro-4-propan-2-yl-1,4-benzothiazine-2,3-dione
CID 166120862
6-fluoro-8-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]quinolin-5-one
CID 166121128
6-fluoro-8-[5-fluoro-2-[[5-(4-methylsulfanylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3H-imidazo[1,2-a]quinolin-5-one
CID 166121131
4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
CID 130310819
N-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 135202520
4-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-1,4-diazabicyclo[3.2.2]nonan-3-one
CID 134342331

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one?
The IUPAC name of 5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one (CID 166120884) is 5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one.
What is the SMILES notation for 5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one?
The canonical SMILES for 5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one is CC(C)n1ccc(=O)c2c(F)cc(-c3nc(Nc4cc5n(n4)CCN(C)C5)ncc3F)cc21.
What is the InChIKey of 5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one?
The InChIKey is LMMHNEGNOYAKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O/c1-13(2)31-5-4-19(33)21-16(24)8-14(9-18(21)31)22-17(25)11-26-23(28-22)27-20-10-15-12-30(3)6-7-32(15)29-20/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,26,27,28,29).
What are the key properties of 5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one?
5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one has a molecular weight of 451.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-[5-fluoro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one is sourced from PubChem (CID 166120884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).