2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone

C20H21F2N5O3S2 — CID 176571664

IUPAC2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone
SMILESCOc1cnc2nc(C(F)F)nc(SCC(=O)c3cnc(C4(OC)CCNCC4)s3)c2c1
InChIInChI=1S/C20H21F2N5O3S2/c1-29-11-7-12-16(24-8-11)26-17(15(21)22)27-18(12)31-10-13(28)14-9-25-19(32-14)20(30-2)3-5-23-6-4-20/h7-9,15,23H,3-6,10H2,1-2H3
InChIKeyCFQSPFNVWMDNFF-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.63
Rot. Bonds8

About 2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone

2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 176571664) has the molecular formula C20H21F2N5O3S2 and a molecular weight of 481.55 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID176571664
Molecular FormulaC20H21F2N5O3S2
Molecular Weight481.55 g/mol
Exact Mass481.11
IUPAC Name2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone
SMILESCOc1cnc2nc(C(F)F)nc(SCC(=O)c3cnc(C4(OC)CCNCC4)s3)c2c1
InChIInChI=1S/C20H21F2N5O3S2/c1-29-11-7-12-16(24-8-11)26-17(15(21)22)27-18(12)31-10-13(28)14-9-25-19(32-14)20(30-2)3-5-23-6-4-20/h7-9,15,23H,3-6,10H2,1-2H3
InChIKeyCFQSPFNVWMDNFF-UHFFFAOYSA-N
XLogP3.63
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(3-fluoroazetidin-3-yl)-1,3-thiazol-5-yl]ethanone
CID 176571689
(Z)-1-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-4-(methylamino)-3-sulfanylbut-3-en-2-one
CID 176571663
2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid
CID 178130906
2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid
CID 116744720
1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone
CID 116727520
N-(2-hydroxypropyl)-5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophene-2-carboxamide
CID 178130899
1-[5-(4-hydroxy-1-methylpiperidin-4-yl)thiophen-2-yl]-2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylethanone
CID 176571808
1-[5-(3-hydroxy-1-propan-2-ylazetidin-3-yl)thiophen-2-yl]-2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylethanone
CID 176571784
2-hydroxy-1-[4-hydroxy-4-[5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophen-2-yl]piperidin-1-yl]ethanone
CID 176571650
1-(3-methoxyphenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
CID 1374007
2-(6-methoxy-2-methylquinazolin-4-yl)sulfanyl-1-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]thiophen-2-yl]ethanone
CID 176571766
2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole
CID 116782796

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone (CID 176571664) is 2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone is COc1cnc2nc(C(F)F)nc(SCC(=O)c3cnc(C4(OC)CCNCC4)s3)c2c1.
What is the InChIKey of 2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is CFQSPFNVWMDNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O3S2/c1-29-11-7-12-16(24-8-11)26-17(15(21)22)27-18(12)31-10-13(28)14-9-25-19(32-14)20(30-2)3-5-23-6-4-20/h7-9,15,23H,3-6,10H2,1-2H3.
What are the key properties of 2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone?
2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 481.55 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-6-methoxypyrido[2,3-d]pyrimidin-4-yl]sulfanyl-1-[2-(4-methoxypiperidin-4-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 176571664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).