(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone

C24H25F3N6O — CID 149138106

IUPAC(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CCc2ccc(C(F)(F)F)nn2)n1
InChIInChI=1S/C24H25F3N6O/c1-15-5-3-14-33(19(15)10-7-17-8-11-20(32-31-17)24(25,26)27)23(34)21-18(9-6-16(2)30-21)22-28-12-4-13-29-22/h4,6,8-9,11-13,15,19H,3,5,7,10,14H2,1-2H3/t15-,19-/m1/s1
InChIKeyRFYVDKVHYGMFEO-DNVCBOLYSA-N
MW470.50 g/mol
LogP4.53
Rot. Bonds5

About (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone

(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone (PubChem CID 149138106) has the molecular formula C24H25F3N6O and a molecular weight of 470.50 g/mol. Its IUPAC name is (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone
PubChem CID149138106
Molecular FormulaC24H25F3N6O
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC Name(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CCc2ccc(C(F)(F)F)nn2)n1
InChIInChI=1S/C24H25F3N6O/c1-15-5-3-14-33(19(15)10-7-17-8-11-20(32-31-17)24(25,26)27)23(34)21-18(9-6-16(2)30-21)22-28-12-4-13-29-22/h4,6,8-9,11-13,15,19H,3,5,7,10,14H2,1-2H3/t15-,19-/m1/s1
InChIKeyRFYVDKVHYGMFEO-DNVCBOLYSA-N
XLogP4.53
TPSA84.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 84973158
(R)-(3-methyl-4-(1-(4-(trifluoromethyl)phenyl)pyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)(phenyl)methanone
CID 25226761
3-amino-N-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68187352
Pyrimidine-4-carboxamide, 60
CID 44520957
Pyrimidine-4-carboxamide, 62
CID 44520958
[6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 73352183
[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 73355150
1,3-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-5-carboxamide
CID 46231351
(4-Methyl-6-phenylpyridazin-3-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone
CID 50938773
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide
CID 57389723
6-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]propanoyl]-2-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
CID 71540077
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-pyrimidin-2-ylpyridine-2-carboxamide
CID 72700268

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone (CID 149138106) is (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone is Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CCc2ccc(C(F)(F)F)nn2)n1.
What is the InChIKey of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone?
The InChIKey is RFYVDKVHYGMFEO-DNVCBOLYSA-N. The full InChI is InChI=1S/C24H25F3N6O/c1-15-5-3-14-33(19(15)10-7-17-8-11-20(32-31-17)24(25,26)27)23(34)21-18(9-6-16(2)30-21)22-28-12-4-13-29-22/h4,6,8-9,11-13,15,19H,3,5,7,10,14H2,1-2H3/t15-,19-/m1/s1.
What are the key properties of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone?
(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone has a molecular weight of 470.50 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 149138106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).