3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide

C20H20F3N7O3 — CID 118672192

IUPAC3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide
SMILESCc1noc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(OC[C@H]2CCNC2)nc1
InChIInChI=1S/C20H20F3N7O3/c1-11-17(19(33-30-11)29-15-9-25-14(8-26-15)20(21,22)23)18(31)28-13-2-3-16(27-7-13)32-10-12-4-5-24-6-12/h2-3,7-9,12,24H,4-6,10H2,1H3,(H,26,29)(H,28,31)/t12-/m0/s1
InChIKeyAXYNYGTTWCZQLQ-LBPRGKRZSA-N
MW463.42 g/mol
LogP3.17
Rot. Bonds7

About 3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide

3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide (PubChem CID 118672192) has the molecular formula C20H20F3N7O3 and a molecular weight of 463.42 g/mol. Its IUPAC name is 3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide
PubChem CID118672192
Molecular FormulaC20H20F3N7O3
Molecular Weight463.42 g/mol
Exact Mass463.16
IUPAC Name3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide
SMILESCc1noc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(OC[C@H]2CCNC2)nc1
InChIInChI=1S/C20H20F3N7O3/c1-11-17(19(33-30-11)29-15-9-25-14(8-26-15)20(21,22)23)18(31)28-13-2-3-16(27-7-13)32-10-12-4-5-24-6-12/h2-3,7-9,12,24H,4-6,10H2,1H3,(H,26,29)(H,28,31)/t12-/m0/s1
InChIKeyAXYNYGTTWCZQLQ-LBPRGKRZSA-N
XLogP3.17
TPSA127.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118278620
N-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118278640
tert-butyl 4-[[5-[[3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carbonyl]amino]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 118278989
3-methyl-N-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118284994
N-[6-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide
CID 159471821
3-methyl-N-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 144895064
N-[6-[[1-(2,2-difluoroethyl)-3,3-difluoropiperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118284821
(3S)-3-[[5-[(5-amino-3-methyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 118672211
N-[6-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118278788
N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 144895083
N-[6-[3-[2,2-difluoroethyl(methyl)amino]propoxy]-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118285114
2-(pyrrolidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62371769

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide (CID 118672192) is 3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide is Cc1noc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(OC[C@H]2CCNC2)nc1.
What is the InChIKey of 3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide?
The InChIKey is AXYNYGTTWCZQLQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20F3N7O3/c1-11-17(19(33-30-11)29-15-9-25-14(8-26-15)20(21,22)23)18(31)28-13-2-3-16(27-7-13)32-10-12-4-5-24-6-12/h2-3,7-9,12,24H,4-6,10H2,1H3,(H,26,29)(H,28,31)/t12-/m0/s1.
What are the key properties of 3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide?
3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide has a molecular weight of 463.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 118672192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).