(2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide

C34H44FN5O4 — CID 171625946

IUPAC(2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
SMILESCOCC[C@H](c1nccc(C)c1F)N1C[C@@H](C)N(C(=O)C(C)C)[C@@H](C(=O)NCc2ccc(-c3ccc(C)c(OC)n3)cc2)C1
InChIInChI=1S/C34H44FN5O4/c1-21(2)34(42)40-24(5)19-39(28(15-17-43-6)31-30(35)22(3)14-16-36-31)20-29(40)32(41)37-18-25-9-11-26(12-10-25)27-13-8-23(4)33(38-27)44-7/h8-14,16,21,24,28-29H,15,17-20H2,1-7H3,(H,37,41)/t24-,28-,29-/m1/s1
InChIKeyIPXJUOSYBGYBMC-SUHSUELASA-N
MW605.76 g/mol
LogP4.86
Rot. Bonds11

About (2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide

(2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide (PubChem CID 171625946) has the molecular formula C34H44FN5O4 and a molecular weight of 605.76 g/mol. Its IUPAC name is (2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
PubChem CID171625946
Molecular FormulaC34H44FN5O4
Molecular Weight605.76 g/mol
Exact Mass605.34
IUPAC Name(2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
SMILESCOCC[C@H](c1nccc(C)c1F)N1C[C@@H](C)N(C(=O)C(C)C)[C@@H](C(=O)NCc2ccc(-c3ccc(C)c(OC)n3)cc2)C1
InChIInChI=1S/C34H44FN5O4/c1-21(2)34(42)40-24(5)19-39(28(15-17-43-6)31-30(35)22(3)14-16-36-31)20-29(40)32(41)37-18-25-9-11-26(12-10-25)27-13-8-23(4)33(38-27)44-7/h8-14,16,21,24,28-29H,15,17-20H2,1-7H3,(H,37,41)/t24-,28-,29-/m1/s1
InChIKeyIPXJUOSYBGYBMC-SUHSUELASA-N
XLogP4.86
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.76
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide?
The IUPAC name of (2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide (CID 171625946) is (2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide?
The canonical SMILES for (2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide is COCC[C@H](c1nccc(C)c1F)N1C[C@@H](C)N(C(=O)C(C)C)[C@@H](C(=O)NCc2ccc(-c3ccc(C)c(OC)n3)cc2)C1.
What is the InChIKey of (2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide?
The InChIKey is IPXJUOSYBGYBMC-SUHSUELASA-N. The full InChI is InChI=1S/C34H44FN5O4/c1-21(2)34(42)40-24(5)19-39(28(15-17-43-6)31-30(35)22(3)14-16-36-31)20-29(40)32(41)37-18-25-9-11-26(12-10-25)27-13-8-23(4)33(38-27)44-7/h8-14,16,21,24,28-29H,15,17-20H2,1-7H3,(H,37,41)/t24-,28-,29-/m1/s1.
What are the key properties of (2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide?
(2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide has a molecular weight of 605.76 g/mol, XLogP of 4.86, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide is sourced from PubChem (CID 171625946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).