(2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

C15H13F4N3O3S — CID 153423159

IUPAC(2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESNC(=O)c1cc(-c2cnc(C(F)F)s2)c2c(n1)O[C@@H](COC(F)F)CC2
InChIInChI=1S/C15H13F4N3O3S/c16-11(17)14-21-4-10(26-14)8-3-9(12(20)23)22-13-7(8)2-1-6(25-13)5-24-15(18)19/h3-4,6,11,15H,1-2,5H2,(H2,20,23)/t6-/m1/s1
InChIKeyPIUOOEDFCPCGMP-ZCFIWIBFSA-N
MW391.35 g/mol
LogP3.17
Rot. Bonds6

About (2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

(2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 153423159) has the molecular formula C15H13F4N3O3S and a molecular weight of 391.35 g/mol. Its IUPAC name is (2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name(2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
PubChem CID153423159
Molecular FormulaC15H13F4N3O3S
Molecular Weight391.35 g/mol
Exact Mass391.06
IUPAC Name(2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESNC(=O)c1cc(-c2cnc(C(F)F)s2)c2c(n1)O[C@@H](COC(F)F)CC2
InChIInChI=1S/C15H13F4N3O3S/c16-11(17)14-21-4-10(26-14)8-3-9(12(20)23)22-13-7(8)2-1-6(25-13)5-24-15(18)19/h3-4,6,11,15H,1-2,5H2,(H2,20,23)/t6-/m1/s1
InChIKeyPIUOOEDFCPCGMP-ZCFIWIBFSA-N
XLogP3.17
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-Cyclopropyl-6-cyclopropylmethoxy-pyridine-2-carboxylic acid [1-methyl-1-(5-methyl-thiazol-2-yl)-ethyl]-amide
CID 71093531
5-Cyclopropyl-6-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl)-amide
CID 71093567
5-Cyclopentyl-6-cyclopropylmethoxy-pyridine-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl)-amide
CID 71093603
6-Cyclopropylmethoxy-5-(tetrahydro-pyran-4-yl)-pyridine-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl)-amide
CID 71105555
6-Cyclopropylmethoxy-5-(tetrahydro-pyran-4-yl)-pyridine-2-carboxylic acid ((S)-2-cyclopropyl-1-thiazol-2-yl-ethyl)-amide
CID 71105570
6-Cyclopropylmethoxy-5-trifluoromethyl-pyridine-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl)-amide
CID 71105605
5-Cyclopropyl-6-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid (3-thiazol-2-yl-oxetan-3-yl)-amide
CID 71113181
5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 71114290
US10335399, Example 3-3A
CID 134363743
US10335399, Example 3-4A
CID 134363789
US10335399, Example 3-3B
CID 134363849
US10335399, Example 3-4B
CID 134363951

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of (2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 153423159) is (2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for (2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for (2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is NC(=O)c1cc(-c2cnc(C(F)F)s2)c2c(n1)O[C@@H](COC(F)F)CC2.
What is the InChIKey of (2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is PIUOOEDFCPCGMP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C15H13F4N3O3S/c16-11(17)14-21-4-10(26-14)8-3-9(12(20)23)22-13-7(8)2-1-6(25-13)5-24-15(18)19/h3-4,6,11,15H,1-2,5H2,(H2,20,23)/t6-/m1/s1.
What are the key properties of (2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
(2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(difluoromethoxymethyl)-5-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 153423159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).