(R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol

C46H52F10N10O2 — CID 160817583

IUPAC(R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol
SMILESNc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c([C@@H](O)C3CC3)n2)cc1C(F)(F)F.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c([C@H](O)C3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/2C23H26F5N5O/c2*24-22(25)3-5-32(6-4-22)20-10-21(11-20,12-20)33-9-16(31-19(33)17(34)13-1-2-13)14-7-15(23(26,27)28)18(29)30-8-14/h2*7-9,13,17,34H,1-6,10-12H2,(H2,29,30)/t2*17-,20?,21?/m10/s1
InChIKeySFCIUNOIPXAZIZ-DPPVVQDRSA-N
MW966.97 g/mol
LogP8.70
Rot. Bonds10

About (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol

(R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol (PubChem CID 160817583) has the molecular formula C46H52F10N10O2 and a molecular weight of 966.97 g/mol. Its IUPAC name is (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol.

Molecular Properties

Compound Name(R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol
PubChem CID160817583
Molecular FormulaC46H52F10N10O2
Molecular Weight966.97 g/mol
Exact Mass966.41
IUPAC Name(R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol
SMILESNc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c([C@@H](O)C3CC3)n2)cc1C(F)(F)F.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c([C@H](O)C3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/2C23H26F5N5O/c2*24-22(25)3-5-32(6-4-22)20-10-21(11-20,12-20)33-9-16(31-19(33)17(34)13-1-2-13)14-7-15(23(26,27)28)18(29)30-8-14/h2*7-9,13,17,34H,1-6,10-12H2,(H2,29,30)/t2*17-,20?,21?/m10/s1
InChIKeySFCIUNOIPXAZIZ-DPPVVQDRSA-N
XLogP8.70
TPSA160.40 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500966.97
LogP ≤ 58.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol with MolForge

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Related Compounds

US11560366, Example 14b
CID 156274419
US10093664, Example 68
CID 134601183
US10093664, Example 6b
CID 134590103
US10093664, Example 69a
CID 134601014
US10093664, Example 59
CID 134601178
US11560366, Example 7a
CID 156274390
US11560366, Example 10a
CID 156274411
US11560366, Example 4b
CID 156274420
US10093664, Example 5b
CID 134590082
US10093664, Example 60
CID 134590084
US10093664, Example 61
CID 134601060
US10093664, Example 33
CID 134601170

Frequently Asked Questions

What is the IUPAC name of (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol?
The IUPAC name of (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol (CID 160817583) is (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol.
What is the SMILES notation for (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol?
The canonical SMILES for (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol is Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c([C@@H](O)C3CC3)n2)cc1C(F)(F)F.Nc1ncc(-c2cn(C34CC(N5CCC(F)(F)CC5)(C3)C4)c([C@H](O)C3CC3)n2)cc1C(F)(F)F.
What is the InChIKey of (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol?
The InChIKey is SFCIUNOIPXAZIZ-DPPVVQDRSA-N. The full InChI is InChI=1S/2C23H26F5N5O/c2*24-22(25)3-5-32(6-4-22)20-10-21(11-20,12-20)33-9-16(31-19(33)17(34)13-1-2-13)14-7-15(23(26,27)28)18(29)30-8-14/h2*7-9,13,17,34H,1-6,10-12H2,(H2,29,30)/t2*17-,20?,21?/m10/s1.
What are the key properties of (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol?
(R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol has a molecular weight of 966.97 g/mol, XLogP of 8.70, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol;(S)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[3-(4,4-difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-cyclopropylmethanol is sourced from PubChem (CID 160817583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).