3-amino-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,8-dihydro-5H-quinolin-7-one;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;methane

C115H130ClF5N36O2 — CID 165017457

About 3-amino-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,8-dihydro-5H-quinolin-7-one;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;methane

3-amino-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,8-dihydro-5H-quinolin-7-one;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;methane (PubChem CID 165017457) has the molecular formula C115H130ClF5N36O2 and a molecular weight of 2179.00 g/mol. Its IUPAC name is 3-amino-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,8-dihydro-5H-quinolin-7-one;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;methane.

Molecular Properties

• Compound Name: 3-amino-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,8-dihydro-5H-quinolin-7-one;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;methane
• PubChem CID: 165017457
• Molecular Formula: C115H130ClF5N36O2
• Molecular Weight: 2179.00 g/mol
• Exact Mass: 2177.08
• IUPAC Name: 3-amino-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,8-dihydro-5H-quinolin-7-one;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;methane
• SMILES: C.C.C.C.C.C.CC(C)c1cnn2c(Cl)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(NC3CCc4ncccc4C3)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(NC3Cc4cccnc4CC3=O)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@@H]3CCc4ncccc4C3)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@H]3CCc4ncccc4C3)nc(-c3cncc(F)c3)nc12.NC1Cc2cccnc2NC1=O
• InChI: InChI=1S/C22H20FN7O.3C22H22FN7.C13H11ClFN5.C8H9N3O.6CH4/c1-12(2)16-11-26-30-21(16)28-20(14-6-15(23)10-24-9-14)29-22(30)27-18-7-13-4-3-5-25-17(13)8-19(18)31;3*1-13(2)18-12-26-30-21(18)28-20(15-8-16(23)11-24-10-15)29-22(30)27-17-5-6-19-14(9-17)4-3-7-25-19;1-7(2)10-6-17-20-12(10)18-11(19-13(20)14)8-3-9(15)5-16-4-8;9-6-4-5-2-1-3-10-7(5)11-8(6)12;;;;;;/h3-6,9-12,18H,7-8H2,1-2H3,(H,27,28,29);3*3-4,7-8,10-13,17H,5-6,9H2,1-2H3,(H,27,28,29);3-7H,1-2H3;1-3,6H,4,9H2,(H,10,11,12);6*1H4/t;2*17-;;;;;;;;;/m.10........./s1
• InChIKey: KQKKWMHFDREPQD-GHQBWFQGSA-N
• XLogP: 21.25
• TPSA: 464.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 18
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2179.00
LogP ≤ 5	21.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 3-amino-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,8-dihydro-5H-quinolin-7-one;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;methane?

The IUPAC name of 3-amino-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,8-dihydro-5H-quinolin-7-one;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;methane (CID 165017457) is 3-amino-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,8-dihydro-5H-quinolin-7-one;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;methane.

What is the SMILES notation for 3-amino-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,8-dihydro-5H-quinolin-7-one;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;methane?

The canonical SMILES for 3-amino-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,8-dihydro-5H-quinolin-7-one;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;methane is C.C.C.C.C.C.CC(C)c1cnn2c(Cl)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(NC3CCc4ncccc4C3)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(NC3Cc4cccnc4CC3=O)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@@H]3CCc4ncccc4C3)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@H]3CCc4ncccc4C3)nc(-c3cncc(F)c3)nc12.NC1Cc2cccnc2NC1=O.

What is the InChIKey of 3-amino-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,8-dihydro-5H-quinolin-7-one;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;methane?

The InChIKey is KQKKWMHFDREPQD-GHQBWFQGSA-N. The full InChI is InChI=1S/C22H20FN7O.3C22H22FN7.C13H11ClFN5.C8H9N3O.6CH4/c1-12(2)16-11-26-30-21(16)28-20(14-6-15(23)10-24-9-14)29-22(30)27-18-7-13-4-3-5-25-17(13)8-19(18)31;3*1-13(2)18-12-26-30-21(18)28-20(15-8-16(23)11-24-10-15)29-22(30)27-17-5-6-19-14(9-17)4-3-7-25-19;1-7(2)10-6-17-20-12(10)18-11(19-13(20)14)8-3-9(15)5-16-4-8;9-6-4-5-2-1-3-10-7(5)11-8(6)12;;;;;;/h3-6,9-12,18H,7-8H2,1-2H3,(H,27,28,29);3*3-4,7-8,10-13,17H,5-6,9H2,1-2H3,(H,27,28,29);3-7H,1-2H3;1-3,6H,4,9H2,(H,10,11,12);6*1H4/t;2*17-;;;;;;;;;/m.10........./s1.

What are the key properties of 3-amino-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,8-dihydro-5H-quinolin-7-one;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;methane?

3-amino-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,8-dihydro-5H-quinolin-7-one;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;methane has a molecular weight of 2179.00 g/mol, XLogP of 21.25, 18 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,8-dihydro-5H-quinolin-7-one;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;methane is sourced from PubChem (CID 165017457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).