(1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C30H40N2O2 — CID 10983406

IUPAC(1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1cccc(-c3cccc([C@@]4(O)C[C@H]5CC[C@]4(C)C5(C)C)n3)n1)C2
InChIInChI=1S/C30H40N2O2/c1-25(2)19-13-15-27(25,5)29(33,17-19)23-11-7-9-21(31-23)22-10-8-12-24(32-22)30(34)18-20-14-16-28(30,6)26(20,3)4/h7-12,19-20,33-34H,13-18H2,1-6H3/t19-,20-,27-,28-,29+,30+/m1/s1
InChIKeyYAPXKTJLEZCTON-MLLFOPNPSA-N
MW460.66 g/mol
LogP6.21
Rot. Bonds3

About (1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

(1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 10983406) has the molecular formula C30H40N2O2 and a molecular weight of 460.66 g/mol. Its IUPAC name is (1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID10983406
Molecular FormulaC30H40N2O2
Molecular Weight460.66 g/mol
Exact Mass460.31
IUPAC Name(1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1cccc(-c3cccc([C@@]4(O)C[C@H]5CC[C@]4(C)C5(C)C)n3)n1)C2
InChIInChI=1S/C30H40N2O2/c1-25(2)19-13-15-27(25,5)29(33,17-19)23-11-7-9-21(31-23)22-10-8-12-24(32-22)30(34)18-20-14-16-28(30,6)26(20,3)4/h7-12,19-20,33-34H,13-18H2,1-6H3/t19-,20-,27-,28-,29+,30+/m1/s1
InChIKeyYAPXKTJLEZCTON-MLLFOPNPSA-N
XLogP6.21
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.66
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 100993925
1,3,3-Trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 135009825
(1S,2S,4R)-1,3,3-trimethyl-2-[2-(6-phenyl-2-pyridinyl)phenyl]bicyclo[2.2.1]heptan-2-ol
CID 50940588
(1R,2S,4R)-2-[[6-[[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-2-pyridinyl]methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 101048174
2-[[6-[(2-Hydroxy-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-pyridinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 134905321
5-Methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 135009225
5-Methyl-2-(2-phenylpropan-2-yl)-1-(6-phenyl-2-pyridinyl)cyclohexan-1-ol
CID 135009226
1,3,3-Trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 135009722
(1S,4R)-1,3,3-trimethyl-2-[2-(6-phenyl-2-pyridinyl)phenyl]bicyclo[2.2.1]heptan-2-ol
CID 135018317
(1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 100993929
molybdenum;bis(oxygen(2-));bis((2R)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-olate)
CID 9808542
molybdenum;bis(oxygen(2-));bis((2R)-1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-olate)
CID 9894715

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 10983406) is (1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1cccc(-c3cccc([C@@]4(O)C[C@H]5CC[C@]4(C)C5(C)C)n3)n1)C2.
What is the InChIKey of (1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is YAPXKTJLEZCTON-MLLFOPNPSA-N. The full InChI is InChI=1S/C30H40N2O2/c1-25(2)19-13-15-27(25,5)29(33,17-19)23-11-7-9-21(31-23)22-10-8-12-24(32-22)30(34)18-20-14-16-28(30,6)26(20,3)4/h7-12,19-20,33-34H,13-18H2,1-6H3/t19-,20-,27-,28-,29+,30+/m1/s1.
What are the key properties of (1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
(1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 460.66 g/mol, XLogP of 6.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 10983406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).