1-[6-[[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]ethanone

C27H25F3N6O2 — CID 11398308

About 1-[6-[[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]ethanone

1-[6-[[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]ethanone (PubChem CID 11398308) has the molecular formula C27H25F3N6O2 and a molecular weight of 522.53 g/mol. Its IUPAC name is 1-[6-[[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[6-[[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]ethanone
• PubChem CID: 11398308
• Molecular Formula: C27H25F3N6O2
• Molecular Weight: 522.53 g/mol
• Exact Mass: 522.20
• IUPAC Name: 1-[6-[[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]ethanone
• SMILES: COCc1nc(Nc2ccc3c(c2)N(C(C)=O)CC3(C)C)c2ccc(-c3ncccc3C(F)(F)F)nc2n1
• InChI: InChI=1S/C27H25F3N6O2/c1-15(37)36-14-26(2,3)18-9-7-16(12-21(18)36)32-24-17-8-10-20(33-25(17)35-22(34-24)13-38-4)23-19(27(28,29)30)6-5-11-31-23/h5-12H,13-14H2,1-4H3,(H,32,33,34,35)
• InChIKey: FZODJOGHTDQWND-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 93.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.53
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]ethanone?

The IUPAC name of 1-[6-[[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]ethanone (CID 11398308) is 1-[6-[[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]ethanone.

What is the SMILES notation for 1-[6-[[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]ethanone?

The canonical SMILES for 1-[6-[[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]ethanone is COCc1nc(Nc2ccc3c(c2)N(C(C)=O)CC3(C)C)c2ccc(-c3ncccc3C(F)(F)F)nc2n1.

What is the InChIKey of 1-[6-[[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]ethanone?

The InChIKey is FZODJOGHTDQWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N6O2/c1-15(37)36-14-26(2,3)18-9-7-16(12-21(18)36)32-24-17-8-10-20(33-25(17)35-22(34-24)13-38-4)23-19(27(28,29)30)6-5-11-31-23/h5-12H,13-14H2,1-4H3,(H,32,33,34,35).

What are the key properties of 1-[6-[[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]ethanone?

1-[6-[[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]ethanone has a molecular weight of 522.53 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]ethanone is sourced from PubChem (CID 11398308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).