(5R)-5-[[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one

C19H17F3N6O2 — CID 72706233

IUPAC(5R)-5-[[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnn(C[C@H]3CNC(=O)O3)c2)c1
InChIInChI=1S/C19H17F3N6O2/c1-11-4-15(12-7-25-28(9-12)10-14-8-24-18(29)30-14)26-17(5-11)27-16-6-13(2-3-23-16)19(20,21)22/h2-7,9,14H,8,10H2,1H3,(H,24,29)(H,23,26,27)/t14-/m1/s1
InChIKeyPELOZBBJWUQUBK-CQSZACIVSA-N
MW418.38 g/mol
LogP3.52
Rot. Bonds5

About (5R)-5-[[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one

(5R)-5-[[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 72706233) has the molecular formula C19H17F3N6O2 and a molecular weight of 418.38 g/mol. Its IUPAC name is (5R)-5-[[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID72706233
Molecular FormulaC19H17F3N6O2
Molecular Weight418.38 g/mol
Exact Mass418.14
IUPAC Name(5R)-5-[[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnn(C[C@H]3CNC(=O)O3)c2)c1
InChIInChI=1S/C19H17F3N6O2/c1-11-4-15(12-7-25-28(9-12)10-14-8-24-18(29)30-14)26-17(5-11)27-16-6-13(2-3-23-16)19(20,21)22/h2-7,9,14H,8,10H2,1H3,(H,24,29)(H,23,26,27)/t14-/m1/s1
InChIKeyPELOZBBJWUQUBK-CQSZACIVSA-N
XLogP3.52
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 72706233) is (5R)-5-[[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnn(C[C@H]3CNC(=O)O3)c2)c1.
What is the InChIKey of (5R)-5-[[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is PELOZBBJWUQUBK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H17F3N6O2/c1-11-4-15(12-7-25-28(9-12)10-14-8-24-18(29)30-14)26-17(5-11)27-16-6-13(2-3-23-16)19(20,21)22/h2-7,9,14H,8,10H2,1H3,(H,24,29)(H,23,26,27)/t14-/m1/s1.
What are the key properties of (5R)-5-[[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one?
(5R)-5-[[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 418.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72706233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).