(1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol

C20H24N2O — CID 100993925

IUPAC(1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1cccc(-c3ccccn3)n1)C2
InChIInChI=1S/C20H24N2O/c1-18(2)14-10-11-19(18,3)20(23,13-14)17-9-6-8-16(22-17)15-7-4-5-12-21-15/h4-9,12,14,23H,10-11,13H2,1-3H3/t14-,19-,20+/m1/s1
InChIKeyMMSXPMGBCFFRBR-XMCHAPAWSA-N
MW308.43 g/mol
LogP4.18
Rot. Bonds2

About (1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol

(1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 100993925) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID100993925
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1cccc(-c3ccccn3)n1)C2
InChIInChI=1S/C20H24N2O/c1-18(2)14-10-11-19(18,3)20(23,13-14)17-9-6-8-16(22-17)15-7-4-5-12-21-15/h4-9,12,14,23H,10-11,13H2,1-3H3/t14-,19-,20+/m1/s1
InChIKeyMMSXPMGBCFFRBR-XMCHAPAWSA-N
XLogP4.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxy-1-pyridin-2-ylethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 49863858
(3S,8R,9S,10S,13S,14S,17S)-17-(1-hydroxy-1-pyridin-2-ylethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 76322295
trans-(1S,3R)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 127043869
cis-(1R,3R)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 127043870
trans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 127044467
cis-(1S,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 127045425
(3S,8S,9S,10R,13R,14S,17R)-3-ethyl-17-[(2R)-5-hydroxy-5-pyridin-2-ylpentan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
CID 134451795
(3S,8S,9S,10R,13R,14S,17R)-3-ethyl-17-[(2R,5S)-5-hydroxy-5-pyridin-2-ylpentan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
CID 134451836
(3S,8S,9S,10R,13R,14S,17R)-3-ethyl-17-[(2R,5R)-5-hydroxy-5-pyridin-2-ylpentan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
CID 134451869
(3S,5S,8R,9S,10S,13R,14S,17R)-3-ethyl-17-[(2R,5S)-5-hydroxy-5-pyridin-2-ylpentan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 134451892
6-11-dihydro-11-(1-methylpiperidin-4-yl)-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ol
CID 107201
Phenyl-[7-[phenyl(pyridin-2-yl)methylidene]-2-bicyclo[2.2.1]hept-2-enyl]-pyridin-2-ylmethanol
CID 44424920

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol (CID 100993925) is (1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol is CC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1cccc(-c3ccccn3)n1)C2.
What is the InChIKey of (1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is MMSXPMGBCFFRBR-XMCHAPAWSA-N. The full InChI is InChI=1S/C20H24N2O/c1-18(2)14-10-11-19(18,3)20(23,13-14)17-9-6-8-16(22-17)15-7-4-5-12-21-15/h4-9,12,14,23H,10-11,13H2,1-3H3/t14-,19-,20+/m1/s1.
What are the key properties of (1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol?
(1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 308.43 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 100993925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).