3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one

C32H33F2N5O3S — CID 158174262

IUPAC3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one
SMILESCCOc1ncc(C)cc1-n1c(C=C(C)C)c(C(=O)N2CCCCC2)cc(-c2nc(-c3ccc(C(F)F)cn3)cs2)c1=O
InChIInChI=1S/C32H33F2N5O3S/c1-5-42-29-27(14-20(4)16-36-29)39-26(13-19(2)3)22(31(40)38-11-7-6-8-12-38)15-23(32(39)41)30-37-25(18-43-30)24-10-9-21(17-35-24)28(33)34/h9-10,13-18,28H,5-8,11-12H2,1-4H3
InChIKeyFXUWGAKFVZSINO-UHFFFAOYSA-N
MW605.71 g/mol
LogP7.11
Rot. Bonds8

About 3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one

3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one (PubChem CID 158174262) has the molecular formula C32H33F2N5O3S and a molecular weight of 605.71 g/mol. Its IUPAC name is 3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one
PubChem CID158174262
Molecular FormulaC32H33F2N5O3S
Molecular Weight605.71 g/mol
Exact Mass605.23
IUPAC Name3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one
SMILESCCOc1ncc(C)cc1-n1c(C=C(C)C)c(C(=O)N2CCCCC2)cc(-c2nc(-c3ccc(C(F)F)cn3)cs2)c1=O
InChIInChI=1S/C32H33F2N5O3S/c1-5-42-29-27(14-20(4)16-36-29)39-26(13-19(2)3)22(31(40)38-11-7-6-8-12-38)15-23(32(39)41)30-37-25(18-43-30)24-10-9-21(17-35-24)28(33)34/h9-10,13-18,28H,5-8,11-12H2,1-4H3
InChIKeyFXUWGAKFVZSINO-UHFFFAOYSA-N
XLogP7.11
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.71
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one?
The IUPAC name of 3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one (CID 158174262) is 3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one is CCOc1ncc(C)cc1-n1c(C=C(C)C)c(C(=O)N2CCCCC2)cc(-c2nc(-c3ccc(C(F)F)cn3)cs2)c1=O.
What is the InChIKey of 3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one?
The InChIKey is FXUWGAKFVZSINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N5O3S/c1-5-42-29-27(14-20(4)16-36-29)39-26(13-19(2)3)22(31(40)38-11-7-6-8-12-38)15-23(32(39)41)30-37-25(18-43-30)24-10-9-21(17-35-24)28(33)34/h9-10,13-18,28H,5-8,11-12H2,1-4H3.
What are the key properties of 3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one?
3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one has a molecular weight of 605.71 g/mol, XLogP of 7.11, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(difluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]-1-(2-ethoxy-5-methyl-3-pyridinyl)-6-(2-methylprop-1-enyl)-5-(piperidine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 158174262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).