N-(2-hydroxyethyl)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]-N-methylpyrrolidine-1-carboxamide

C22H27F3N6O4 — CID 56650877

About N-(2-hydroxyethyl)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]-N-methylpyrrolidine-1-carboxamide

N-(2-hydroxyethyl)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]-N-methylpyrrolidine-1-carboxamide (PubChem CID 56650877) has the molecular formula C22H27F3N6O4 and a molecular weight of 496.49 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]-N-methylpyrrolidine-1-carboxamide
• PubChem CID: 56650877
• Molecular Formula: C22H27F3N6O4
• Molecular Weight: 496.49 g/mol
• Exact Mass: 496.20
• IUPAC Name: N-(2-hydroxyethyl)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]-N-methylpyrrolidine-1-carboxamide
• SMILES: COc1ncc(N2CCc3ncnc(OC4CCN(C(=O)N(C)CCO)C4)c3C2)cc1C(F)(F)F
• InChI: InChI=1S/C22H27F3N6O4/c1-29(7-8-32)21(33)31-5-3-15(11-31)35-19-16-12-30(6-4-18(16)27-13-28-19)14-9-17(22(23,24)25)20(34-2)26-10-14/h9-10,13,15,32H,3-8,11-12H2,1-2H3
• InChIKey: HZMUAIHRIYXMNG-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 104.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.49
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]-N-methylpyrrolidine-1-carboxamide?

The IUPAC name of N-(2-hydroxyethyl)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]-N-methylpyrrolidine-1-carboxamide (CID 56650877) is N-(2-hydroxyethyl)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]-N-methylpyrrolidine-1-carboxamide.

What is the SMILES notation for N-(2-hydroxyethyl)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]-N-methylpyrrolidine-1-carboxamide?

The canonical SMILES for N-(2-hydroxyethyl)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]-N-methylpyrrolidine-1-carboxamide is COc1ncc(N2CCc3ncnc(OC4CCN(C(=O)N(C)CCO)C4)c3C2)cc1C(F)(F)F.

What is the InChIKey of N-(2-hydroxyethyl)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]-N-methylpyrrolidine-1-carboxamide?

The InChIKey is HZMUAIHRIYXMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N6O4/c1-29(7-8-32)21(33)31-5-3-15(11-31)35-19-16-12-30(6-4-18(16)27-13-28-19)14-9-17(22(23,24)25)20(34-2)26-10-14/h9-10,13,15,32H,3-8,11-12H2,1-2H3.

What are the key properties of N-(2-hydroxyethyl)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]-N-methylpyrrolidine-1-carboxamide?

N-(2-hydroxyethyl)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]-N-methylpyrrolidine-1-carboxamide has a molecular weight of 496.49 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 56650877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).