4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide

C32H34F4N4O5 — CID 169319014

IUPAC4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide
SMILESCOc1cc(F)c([C@H]2[C@H](NC(=O)c3ccc(OC(F)F)cc3)C(=O)N(c3cccc(C4CCN(CCO)CC4)n3)[C@H]2C)c(F)c1
InChIInChI=1S/C32H34F4N4O5/c1-18-27(28-23(33)16-22(44-2)17-24(28)34)29(38-30(42)20-6-8-21(9-7-20)45-32(35)36)31(43)40(18)26-5-3-4-25(37-26)19-10-12-39(13-11-19)14-15-41/h3-9,16-19,27,29,32,41H,10-15H2,1-2H3,(H,38,42)/t18-,27-,29-/m0/s1
InChIKeyGSDZNNXMSBZZKG-YPUBOHSSSA-N
MW630.64 g/mol
LogP4.46
Rot. Bonds10

About 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide

4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 169319014) has the molecular formula C32H34F4N4O5 and a molecular weight of 630.64 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide
PubChem CID169319014
Molecular FormulaC32H34F4N4O5
Molecular Weight630.64 g/mol
Exact Mass630.25
IUPAC Name4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide
SMILESCOc1cc(F)c([C@H]2[C@H](NC(=O)c3ccc(OC(F)F)cc3)C(=O)N(c3cccc(C4CCN(CCO)CC4)n3)[C@H]2C)c(F)c1
InChIInChI=1S/C32H34F4N4O5/c1-18-27(28-23(33)16-22(44-2)17-24(28)34)29(38-30(42)20-6-8-21(9-7-20)45-32(35)36)31(43)40(18)26-5-3-4-25(37-26)19-10-12-39(13-11-19)14-15-41/h3-9,16-19,27,29,32,41H,10-15H2,1-2H3,(H,38,42)/t18-,27-,29-/m0/s1
InChIKeyGSDZNNXMSBZZKG-YPUBOHSSSA-N
XLogP4.46
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.64
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide (CID 169319014) is 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide is COc1cc(F)c([C@H]2[C@H](NC(=O)c3ccc(OC(F)F)cc3)C(=O)N(c3cccc(C4CCN(CCO)CC4)n3)[C@H]2C)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide?
The InChIKey is GSDZNNXMSBZZKG-YPUBOHSSSA-N. The full InChI is InChI=1S/C32H34F4N4O5/c1-18-27(28-23(33)16-22(44-2)17-24(28)34)29(38-30(42)20-6-8-21(9-7-20)45-32(35)36)31(43)40(18)26-5-3-4-25(37-26)19-10-12-39(13-11-19)14-15-41/h3-9,16-19,27,29,32,41H,10-15H2,1-2H3,(H,38,42)/t18-,27-,29-/m0/s1.
What are the key properties of 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide?
4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 630.64 g/mol, XLogP of 4.46, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxyethyl)piperidin-4-yl]-2-pyridinyl]-5-methyl-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 169319014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).