5-cyclopropyl-9-[2-[4-(dimethylamino)piperidin-1-yl]-1-methyl-2H-pyridin-5-yl]-10-fluoro-2-methyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one

C29H35FN6O2 — CID 170108266

About 5-cyclopropyl-9-[2-[4-(dimethylamino)piperidin-1-yl]-1-methyl-2H-pyridin-5-yl]-10-fluoro-2-methyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one

5-cyclopropyl-9-[2-[4-(dimethylamino)piperidin-1-yl]-1-methyl-2H-pyridin-5-yl]-10-fluoro-2-methyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one (PubChem CID 170108266) has the molecular formula C29H35FN6O2 and a molecular weight of 518.64 g/mol. Its IUPAC name is 5-cyclopropyl-9-[2-[4-(dimethylamino)piperidin-1-yl]-1-methyl-2H-pyridin-5-yl]-10-fluoro-2-methyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one.

Molecular Properties

• Compound Name: 5-cyclopropyl-9-[2-[4-(dimethylamino)piperidin-1-yl]-1-methyl-2H-pyridin-5-yl]-10-fluoro-2-methyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one
• PubChem CID: 170108266
• Molecular Formula: C29H35FN6O2
• Molecular Weight: 518.64 g/mol
• Exact Mass: 518.28
• IUPAC Name: 5-cyclopropyl-9-[2-[4-(dimethylamino)piperidin-1-yl]-1-methyl-2H-pyridin-5-yl]-10-fluoro-2-methyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one
• SMILES: CN(C)C1CCN(C2C=CC(c3c(F)cc4ncc5c6c4c3OCC(C3CC3)n6c(=O)n5C)=CN2C)CC1
• InChI: InChI=1S/C29H35FN6O2/c1-32(2)19-9-11-35(12-10-19)24-8-7-18(15-33(24)3)25-20(30)13-21-26-27-22(14-31-21)34(4)29(37)36(27)23(17-5-6-17)16-38-28(25)26/h7-8,13-15,17,19,23-24H,5-6,9-12,16H2,1-4H3
• InChIKey: YBLHTRFBVNDAHJ-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 58.77 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.64
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-9-[2-[4-(dimethylamino)piperidin-1-yl]-1-methyl-2H-pyridin-5-yl]-10-fluoro-2-methyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one?

The IUPAC name of 5-cyclopropyl-9-[2-[4-(dimethylamino)piperidin-1-yl]-1-methyl-2H-pyridin-5-yl]-10-fluoro-2-methyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one (CID 170108266) is 5-cyclopropyl-9-[2-[4-(dimethylamino)piperidin-1-yl]-1-methyl-2H-pyridin-5-yl]-10-fluoro-2-methyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one.

What is the SMILES notation for 5-cyclopropyl-9-[2-[4-(dimethylamino)piperidin-1-yl]-1-methyl-2H-pyridin-5-yl]-10-fluoro-2-methyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one?

The canonical SMILES for 5-cyclopropyl-9-[2-[4-(dimethylamino)piperidin-1-yl]-1-methyl-2H-pyridin-5-yl]-10-fluoro-2-methyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one is CN(C)C1CCN(C2C=CC(c3c(F)cc4ncc5c6c4c3OCC(C3CC3)n6c(=O)n5C)=CN2C)CC1.

What is the InChIKey of 5-cyclopropyl-9-[2-[4-(dimethylamino)piperidin-1-yl]-1-methyl-2H-pyridin-5-yl]-10-fluoro-2-methyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one?

The InChIKey is YBLHTRFBVNDAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN6O2/c1-32(2)19-9-11-35(12-10-19)24-8-7-18(15-33(24)3)25-20(30)13-21-26-27-22(14-31-21)34(4)29(37)36(27)23(17-5-6-17)16-38-28(25)26/h7-8,13-15,17,19,23-24H,5-6,9-12,16H2,1-4H3.

What are the key properties of 5-cyclopropyl-9-[2-[4-(dimethylamino)piperidin-1-yl]-1-methyl-2H-pyridin-5-yl]-10-fluoro-2-methyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one?

5-cyclopropyl-9-[2-[4-(dimethylamino)piperidin-1-yl]-1-methyl-2H-pyridin-5-yl]-10-fluoro-2-methyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one has a molecular weight of 518.64 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-9-[2-[4-(dimethylamino)piperidin-1-yl]-1-methyl-2H-pyridin-5-yl]-10-fluoro-2-methyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one is sourced from PubChem (CID 170108266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).