N-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide

C35H40FN5O4 — CID 58834981

IUPACN-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide
SMILESO=C(NC1CC1)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4cccc(F)c4)CC3)cn2)cc1
InChIInChI=1S/C35H40FN5O4/c36-27-3-1-2-26(20-27)32-23-40(29-14-18-44-19-15-29)35(43)41(32)30-12-16-39(17-13-30)22-24-4-11-33(37-21-24)45-31-9-5-25(6-10-31)34(42)38-28-7-8-28/h1-6,9-11,20-21,28-30,32H,7-8,12-19,22-23H2,(H,38,42)/t32-/m0/s1
InChIKeyJFDATYYPHMPVQD-YTTGMZPUSA-N
MW613.73 g/mol
LogP5.53
Rot. Bonds9

About N-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide

N-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide (PubChem CID 58834981) has the molecular formula C35H40FN5O4 and a molecular weight of 613.73 g/mol. Its IUPAC name is N-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide
PubChem CID58834981
Molecular FormulaC35H40FN5O4
Molecular Weight613.73 g/mol
Exact Mass613.31
IUPAC NameN-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide
SMILESO=C(NC1CC1)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4cccc(F)c4)CC3)cn2)cc1
InChIInChI=1S/C35H40FN5O4/c36-27-3-1-2-26(20-27)32-23-40(29-14-18-44-19-15-29)35(43)41(32)30-12-16-39(17-13-30)22-24-4-11-33(37-21-24)45-31-9-5-25(6-10-31)34(42)38-28-7-8-28/h1-6,9-11,20-21,28-30,32H,7-8,12-19,22-23H2,(H,38,42)/t32-/m0/s1
InChIKeyJFDATYYPHMPVQD-YTTGMZPUSA-N
XLogP5.53
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.73
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide?
The IUPAC name of N-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide (CID 58834981) is N-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide is O=C(NC1CC1)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4cccc(F)c4)CC3)cn2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide?
The InChIKey is JFDATYYPHMPVQD-YTTGMZPUSA-N. The full InChI is InChI=1S/C35H40FN5O4/c36-27-3-1-2-26(20-27)32-23-40(29-14-18-44-19-15-29)35(43)41(32)30-12-16-39(17-13-30)22-24-4-11-33(37-21-24)45-31-9-5-25(6-10-31)34(42)38-28-7-8-28/h1-6,9-11,20-21,28-30,32H,7-8,12-19,22-23H2,(H,38,42)/t32-/m0/s1.
What are the key properties of N-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide?
N-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide has a molecular weight of 613.73 g/mol, XLogP of 5.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[5-[[4-[(5R)-5-(3-fluorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 58834981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).