(4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol

C26H28F3N5O — CID 123905677

IUPAC(4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol
SMILESCc1cc(C)c(-c2ncccn2)c(C(O)N2CC3CC3CC2CCc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C26H28F3N5O/c1-15-10-16(2)33-23(22(15)24-30-8-3-9-31-24)25(35)34-14-18-11-17(18)12-21(34)7-6-20-5-4-19(13-32-20)26(27,28)29/h3-5,8-10,13,17-18,21,25,35H,6-7,11-12,14H2,1-2H3
InChIKeySFOBNWABLZFKOT-UHFFFAOYSA-N
MW483.54 g/mol
LogP4.90
Rot. Bonds6

About (4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol

(4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol (PubChem CID 123905677) has the molecular formula C26H28F3N5O and a molecular weight of 483.54 g/mol. Its IUPAC name is (4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol.

Molecular Properties

Compound Name(4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol
PubChem CID123905677
Molecular FormulaC26H28F3N5O
Molecular Weight483.54 g/mol
Exact Mass483.22
IUPAC Name(4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol
SMILESCc1cc(C)c(-c2ncccn2)c(C(O)N2CC3CC3CC2CCc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C26H28F3N5O/c1-15-10-16(2)33-23(22(15)24-30-8-3-9-31-24)25(35)34-14-18-11-17(18)12-21(34)7-6-20-5-4-19(13-32-20)26(27,28)29/h3-5,8-10,13,17-18,21,25,35H,6-7,11-12,14H2,1-2H3
InChIKeySFOBNWABLZFKOT-UHFFFAOYSA-N
XLogP4.90
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol with MolForge

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Related Compounds

[(2R,4S,5R)-5-(6-pentan-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanol
CID 40776887
4-(5-Methylpyridin-2-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol
CID 56751512
4-(4-Fluorophenyl)-1-[4-(2-pyridinyl)-2-pyrimidinyl]-4-piperidinol
CID 74248880
[5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 145424516
[5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 145424552
[5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 145424591
[5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 145424699
[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 146555151
[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 146555208
1-[5-[6-[[4-(Difluoromethyl)pyridin-2-yl]amino]-4-methylpyridin-2-yl]pyridin-2-yl]-1-[4-(hydroxymethyl)cyclohexyl]ethanol
CID 70982943
(S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol
CID 95144188
[2-[4-[[2-(Dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol
CID 110220837

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol?
The IUPAC name of (4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol (CID 123905677) is (4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol.
What is the SMILES notation for (4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol?
The canonical SMILES for (4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol is Cc1cc(C)c(-c2ncccn2)c(C(O)N2CC3CC3CC2CCc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of (4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol?
The InChIKey is SFOBNWABLZFKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O/c1-15-10-16(2)33-23(22(15)24-30-8-3-9-31-24)25(35)34-14-18-11-17(18)12-21(34)7-6-20-5-4-19(13-32-20)26(27,28)29/h3-5,8-10,13,17-18,21,25,35H,6-7,11-12,14H2,1-2H3.
What are the key properties of (4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol?
(4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol has a molecular weight of 483.54 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanol is sourced from PubChem (CID 123905677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).