2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C22H21F3N6O — CID 156522766

IUPAC2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(C)nc(-n2ccnc2[C@@H]2C[C@H](O)CN2c2nc(C)cc(C(F)(F)F)c2C#N)c1
InChIInChI=1S/C22H21F3N6O/c1-12-6-13(2)28-19(7-12)30-5-4-27-21(30)18-9-15(32)11-31(18)20-16(10-26)17(22(23,24)25)8-14(3)29-20/h4-8,15,18,32H,9,11H2,1-3H3/t15-,18-/m0/s1
InChIKeyOOEWXMUMQRWWBU-YJBOKZPZSA-N
MW442.45 g/mol
LogP3.79
Rot. Bonds3

About 2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 156522766) has the molecular formula C22H21F3N6O and a molecular weight of 442.45 g/mol. Its IUPAC name is 2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID156522766
Molecular FormulaC22H21F3N6O
Molecular Weight442.45 g/mol
Exact Mass442.17
IUPAC Name2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(C)nc(-n2ccnc2[C@@H]2C[C@H](O)CN2c2nc(C)cc(C(F)(F)F)c2C#N)c1
InChIInChI=1S/C22H21F3N6O/c1-12-6-13(2)28-19(7-12)30-5-4-27-21(30)18-9-15(32)11-31(18)20-16(10-26)17(22(23,24)25)8-14(3)29-20/h4-8,15,18,32H,9,11H2,1-3H3/t15-,18-/m0/s1
InChIKeyOOEWXMUMQRWWBU-YJBOKZPZSA-N
XLogP3.79
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile with MolForge

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Related Compounds

US11560366, Example 7a
CID 156274390
6-(6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl)-N-((3S,4S)-4-methoxypyrrolidin-3-yl)pyridin-2-amine
CID 166961813
US9884868, Example 92''
CID 122510414
US9884868, Example 81''
CID 122510428
US9884868, Example 69''
CID 122510437
US9884868, Example 68''
CID 122510519
US9884868, Example 85''
CID 122510626
US9884868, Example 75''
CID 122510685
US9884868, Example 274''
CID 122510783
US9884868, Example 83''
CID 122510796
US9884868, Example 71''
CID 122510801
US10287295, Example 93''
CID 122510831

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 156522766) is 2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is Cc1cc(C)nc(-n2ccnc2[C@@H]2C[C@H](O)CN2c2nc(C)cc(C(F)(F)F)c2C#N)c1.
What is the InChIKey of 2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is OOEWXMUMQRWWBU-YJBOKZPZSA-N. The full InChI is InChI=1S/C22H21F3N6O/c1-12-6-13(2)28-19(7-12)30-5-4-27-21(30)18-9-15(32)11-31(18)20-16(10-26)17(22(23,24)25)8-14(3)29-20/h4-8,15,18,32H,9,11H2,1-3H3/t15-,18-/m0/s1.
What are the key properties of 2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 442.45 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-2-[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 156522766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).