4-fluoro-6-[4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-(trifluoromethyl)pyridin-2-amine

C24H24F5N7O — CID 176992024

About 4-fluoro-6-[4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-(trifluoromethyl)pyridin-2-amine

4-fluoro-6-[4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 176992024) has the molecular formula C24H24F5N7O and a molecular weight of 521.49 g/mol. Its IUPAC name is 4-fluoro-6-[4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-fluoro-6-[4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 176992024
• Molecular Formula: C24H24F5N7O
• Molecular Weight: 521.49 g/mol
• Exact Mass: 521.20
• IUPAC Name: 4-fluoro-6-[4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-(trifluoromethyl)pyridin-2-amine
• SMILES: CN1CCCC1COc1nc(N2CCC=C(F)C2)c2cnc(-c3nc(N)cc(F)c3C(F)(F)F)cc2n1
• InChI: InChI=1S/C24H24F5N7O/c1-35-6-3-5-14(35)12-37-23-32-17-9-18(21-20(24(27,28)29)16(26)8-19(30)33-21)31-10-15(17)22(34-23)36-7-2-4-13(25)11-36/h4,8-10,14H,2-3,5-7,11-12H2,1H3,(H2,30,33)
• InChIKey: DMRXQCWEWVJMJV-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 93.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.49
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 4-fluoro-6-[4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-(trifluoromethyl)pyridin-2-amine (CID 176992024) is 4-fluoro-6-[4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 4-fluoro-6-[4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 4-fluoro-6-[4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-(trifluoromethyl)pyridin-2-amine is CN1CCCC1COc1nc(N2CCC=C(F)C2)c2cnc(-c3nc(N)cc(F)c3C(F)(F)F)cc2n1.

What is the InChIKey of 4-fluoro-6-[4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-(trifluoromethyl)pyridin-2-amine?

The InChIKey is DMRXQCWEWVJMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F5N7O/c1-35-6-3-5-14(35)12-37-23-32-17-9-18(21-20(24(27,28)29)16(26)8-19(30)33-21)31-10-15(17)22(34-23)36-7-2-4-13(25)11-36/h4,8-10,14H,2-3,5-7,11-12H2,1H3,(H2,30,33).

What are the key properties of 4-fluoro-6-[4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-(trifluoromethyl)pyridin-2-amine?

4-fluoro-6-[4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 521.49 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-6-[4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 176992024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).