N-[4-methyl-3-[2-morpholin-4-yl-6-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C27H34F3N5O3 — CID 155160895

About N-[4-methyl-3-[2-morpholin-4-yl-6-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

N-[4-methyl-3-[2-morpholin-4-yl-6-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 155160895) has the molecular formula C27H34F3N5O3 and a molecular weight of 533.60 g/mol. Its IUPAC name is N-[4-methyl-3-[2-morpholin-4-yl-6-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-methyl-3-[2-morpholin-4-yl-6-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• PubChem CID: 155160895
• Molecular Formula: C27H34F3N5O3
• Molecular Weight: 533.60 g/mol
• Exact Mass: 533.26
• IUPAC Name: N-[4-methyl-3-[2-morpholin-4-yl-6-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• SMILES: Cc1ccc(NC(=O)N2CCC(CC(F)(F)F)C2)cc1-c1cc(O[C@@H]2CCNC2)nc(N2CCOCC2)c1
• InChI: InChI=1S/C27H34F3N5O3/c1-18-2-3-21(32-26(36)35-7-5-19(17-35)15-27(28,29)30)14-23(18)20-12-24(34-8-10-37-11-9-34)33-25(13-20)38-22-4-6-31-16-22/h2-3,12-14,19,22,31H,4-11,15-17H2,1H3,(H,32,36)/t19?,22-/m1/s1
• InChIKey: GXPPCDOUSUIMJW-AVKWCDSFSA-N
• XLogP: 4.44
• TPSA: 78.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.60
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[2-morpholin-4-yl-6-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The IUPAC name of N-[4-methyl-3-[2-morpholin-4-yl-6-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 155160895) is N-[4-methyl-3-[2-morpholin-4-yl-6-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

What is the SMILES notation for N-[4-methyl-3-[2-morpholin-4-yl-6-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The canonical SMILES for N-[4-methyl-3-[2-morpholin-4-yl-6-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(CC(F)(F)F)C2)cc1-c1cc(O[C@@H]2CCNC2)nc(N2CCOCC2)c1.

What is the InChIKey of N-[4-methyl-3-[2-morpholin-4-yl-6-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The InChIKey is GXPPCDOUSUIMJW-AVKWCDSFSA-N. The full InChI is InChI=1S/C27H34F3N5O3/c1-18-2-3-21(32-26(36)35-7-5-19(17-35)15-27(28,29)30)14-23(18)20-12-24(34-8-10-37-11-9-34)33-25(13-20)38-22-4-6-31-16-22/h2-3,12-14,19,22,31H,4-11,15-17H2,1H3,(H,32,36)/t19?,22-/m1/s1.

What are the key properties of N-[4-methyl-3-[2-morpholin-4-yl-6-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

N-[4-methyl-3-[2-morpholin-4-yl-6-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 533.60 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-[2-morpholin-4-yl-6-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 155160895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).