5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide

C20H16FN5O2S — CID 70980271

IUPAC5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1cc(-c2nc(-c3ccc(NC(=O)c4cncc(F)c4C)nc3)c(C)s2)no1
InChIInChI=1S/C20H16FN5O2S/c1-10-6-16(26-28-10)20-25-18(12(3)29-20)13-4-5-17(23-7-13)24-19(27)14-8-22-9-15(21)11(14)2/h4-9H,1-3H3,(H,23,24,27)
InChIKeyNPKPPHKBRDILHQ-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.57
Rot. Bonds4

About 5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide

5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 70980271) has the molecular formula C20H16FN5O2S and a molecular weight of 409.45 g/mol. Its IUPAC name is 5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID70980271
Molecular FormulaC20H16FN5O2S
Molecular Weight409.45 g/mol
Exact Mass409.10
IUPAC Name5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1cc(-c2nc(-c3ccc(NC(=O)c4cncc(F)c4C)nc3)c(C)s2)no1
InChIInChI=1S/C20H16FN5O2S/c1-10-6-16(26-28-10)20-25-18(12(3)29-20)13-4-5-17(23-7-13)24-19(27)14-8-22-9-15(21)11(14)2/h4-9H,1-3H3,(H,23,24,27)
InChIKeyNPKPPHKBRDILHQ-UHFFFAOYSA-N
XLogP4.57
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide with MolForge

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Related Compounds

1-[5-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea
CID 68639684
(2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanamide
CID 139269402
2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide
CID 139269515
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522306
5-[2-(4-methylanilino)thiazol-4-yl]-N-(2-pyridyl)isoxazole-3-carboxamide
CID 134816824
N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-3-methyl-1,2-oxazol-5-amine
CID 155563141
5-methyl-N-(4-(pyridin-2-yl)thiazol-2-yl)isoxazole-3-carboxamide
CID 2462544
N-(5-(5-ethyl-2-(3-methylisoxazol-5-yl)thiazol-4-yl)pyridin-2-yl)-5-fluoro-4-methylnicotinamide
CID 70978057
N-(5-(5-ethyl-2-(5-methylisoxazol-3-yl)thiazol-4-yl)pyridin-2-yl)-5-fluoro-4-methylnicotinamide
CID 71010065
N-(5-(5-ethyl-2-(isoxazol-3-yl)thiazol-4-yl)pyridin-2-yl)-5-fluoro-4-methylnicotinamide
CID 71010082
(2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanamide
CID 139269385
(2S)-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]propanamide
CID 139269391

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 70980271) is 5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide is Cc1cc(-c2nc(-c3ccc(NC(=O)c4cncc(F)c4C)nc3)c(C)s2)no1.
What is the InChIKey of 5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is NPKPPHKBRDILHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2S/c1-10-6-16(26-28-10)20-25-18(12(3)29-20)13-4-5-17(23-7-13)24-19(27)14-8-22-9-15(21)11(14)2/h4-9H,1-3H3,(H,23,24,27).
What are the key properties of 5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide?
5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 70980271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).