5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one

C24H24F2N6O — CID 166121117

IUPAC5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one
SMILESCC(C)N1CC(=O)Cc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cc21
InChIInChI=1S/C24H24F2N6O/c1-13(2)32-12-16(33)9-17-18(25)7-15(8-21(17)32)23-19(26)11-28-24(31-23)30-22-4-3-14-10-27-6-5-20(14)29-22/h3-4,7-8,11,13,27H,5-6,9-10,12H2,1-2H3,(H,28,29,30,31)
InChIKeyOSNLVTFNYIYIFC-UHFFFAOYSA-N
MW450.49 g/mol
LogP3.55
Rot. Bonds4

About 5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one

5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one (PubChem CID 166121117) has the molecular formula C24H24F2N6O and a molecular weight of 450.49 g/mol. Its IUPAC name is 5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one.

Molecular Properties

Compound Name5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one
PubChem CID166121117
Molecular FormulaC24H24F2N6O
Molecular Weight450.49 g/mol
Exact Mass450.20
IUPAC Name5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one
SMILESCC(C)N1CC(=O)Cc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cc21
InChIInChI=1S/C24H24F2N6O/c1-13(2)32-12-16(33)9-17-18(25)7-15(8-21(17)32)23-19(26)11-28-24(31-23)30-22-4-3-14-10-27-6-5-20(14)29-22/h3-4,7-8,11,13,27H,5-6,9-10,12H2,1-2H3,(H,28,29,30,31)
InChIKeyOSNLVTFNYIYIFC-UHFFFAOYSA-N
XLogP3.55
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one with MolForge

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Related Compounds

N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 166121083
7-[2-(2,5-difluoro-4-piperazin-1-ylanilino)-5-fluoropyrimidin-4-yl]-5-fluoro-1-propan-2-yl-2,4-dihydroquinolin-3-one
CID 166120770
N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 139390194
4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione
CID 175728285
N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 145344063
N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane
CID 145344062
N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzothiazin-6-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 166121036
N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 139390064
8-fluoro-6-[5-fluoro-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidin-4-yl]-4-propan-2-yl-1,4-benzoxazin-3-one
CID 139410007
6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 135202518
5-fluoro-4-(5-fluoro-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
CID 166120916
6-[5-fluoro-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidin-4-yl]-8-methyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 139410014

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one?
The IUPAC name of 5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one (CID 166121117) is 5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one.
What is the SMILES notation for 5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one?
The canonical SMILES for 5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one is CC(C)N1CC(=O)Cc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cc21.
What is the InChIKey of 5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one?
The InChIKey is OSNLVTFNYIYIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O/c1-13(2)32-12-16(33)9-17-18(25)7-15(8-21(17)32)23-19(26)11-28-24(31-23)30-22-4-3-14-10-27-6-5-20(14)29-22/h3-4,7-8,11,13,27H,5-6,9-10,12H2,1-2H3,(H,28,29,30,31).
What are the key properties of 5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one?
5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one has a molecular weight of 450.49 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one is sourced from PubChem (CID 166121117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).