2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine

C48H60N16O — CID 157060452

IUPAC2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine
SMILESCC(C)c1cncc(-c2nn[nH]n2)c1.Cc1ncc(-c2cnccn2)cc1C(C)C.Cc1ncc(-c2ncccn2)cc1C(C)C.Cc1ncc(-c2nnnn2CCCO)cc1C(C)C
InChIInChI=1S/C13H19N5O.2C13H15N3.C9H11N5/c1-9(2)12-7-11(8-14-10(12)3)13-15-16-17-18(13)5-4-6-19;1-9(2)12-6-11(7-16-10(12)3)13-8-14-4-5-15-13;1-9(2)12-7-11(8-16-10(12)3)13-14-5-4-6-15-13;1-6(2)7-3-8(5-10-4-7)9-11-13-14-12-9/h7-9,19H,4-6H2,1-3H3;2*4-9H,1-3H3;3-6H,1-2H3,(H,11,12,13,14)
InChIKeyABGSMFMRBHKTLO-UHFFFAOYSA-N
MW877.12 g/mol
LogP8.88
Rot. Bonds11

About 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine

2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine (PubChem CID 157060452) has the molecular formula C48H60N16O and a molecular weight of 877.12 g/mol. Its IUPAC name is 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine
PubChem CID157060452
Molecular FormulaC48H60N16O
Molecular Weight877.12 g/mol
Exact Mass876.51
IUPAC Name2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine
SMILESCC(C)c1cncc(-c2nn[nH]n2)c1.Cc1ncc(-c2cnccn2)cc1C(C)C.Cc1ncc(-c2ncccn2)cc1C(C)C.Cc1ncc(-c2nnnn2CCCO)cc1C(C)C
InChIInChI=1S/C13H19N5O.2C13H15N3.C9H11N5/c1-9(2)12-7-11(8-14-10(12)3)13-15-16-17-18(13)5-4-6-19;1-9(2)12-6-11(7-16-10(12)3)13-8-14-4-5-15-13;1-9(2)12-7-11(8-16-10(12)3)13-14-5-4-6-15-13;1-6(2)7-3-8(5-10-4-7)9-11-13-14-12-9/h7-9,19H,4-6H2,1-3H3;2*4-9H,1-3H3;3-6H,1-2H3,(H,11,12,13,14)
InChIKeyABGSMFMRBHKTLO-UHFFFAOYSA-N
XLogP8.88
TPSA221.41 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500877.12
LogP ≤ 58.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine 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

2-(4-(6-phenyl-7-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[2,3-d]pyrimidin-2-yl)piperazin-1-yl)ethanol
CID 11549180
1-(6-phenyl-7-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[2,3-d]pyrimidin-2-yl)piperidin-4-ol
CID 11636277
2-(4-(6-phenyl-7-(4-((4-(5-(pyrimidin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[2,3-d]pyrimidin-2-yl)piperazin-1-yl)ethanol
CID 44560716
2-(4-(7-(4-((4-(5-(6-aminopyridin-3-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-6-phenylpyrido[2,3-d]pyrimidin-2-yl)piperazin-1-yl)ethanol
CID 44560719
2-(4-(2-phenyl-3-(4-((4-(5-(pyrimidin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[3,2-b]pyrazin-6-yl)piperazin-1-yl)ethanol
CID 44560729
[(2S)-1-[5-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-2-yl]methanol
CID 118032907
[(2S)-1-[5-[(1R)-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-2-yl]methanol
CID 118032908
US10544143, Example 75
CID 138686399
US11459329, Example 71
CID 152016341
US11459329, Example 44
CID 152469779
1-[4-[6-[6-[2-(3-Fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]piperidin-4-ol
CID 58335859
6-(4-Methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol
CID 66698036

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine (CID 157060452) is 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine is CC(C)c1cncc(-c2nn[nH]n2)c1.Cc1ncc(-c2cnccn2)cc1C(C)C.Cc1ncc(-c2ncccn2)cc1C(C)C.Cc1ncc(-c2nnnn2CCCO)cc1C(C)C.
What is the InChIKey of 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine?
The InChIKey is ABGSMFMRBHKTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O.2C13H15N3.C9H11N5/c1-9(2)12-7-11(8-14-10(12)3)13-15-16-17-18(13)5-4-6-19;1-9(2)12-6-11(7-16-10(12)3)13-8-14-4-5-15-13;1-9(2)12-7-11(8-16-10(12)3)13-14-5-4-6-15-13;1-6(2)7-3-8(5-10-4-7)9-11-13-14-12-9/h7-9,19H,4-6H2,1-3H3;2*4-9H,1-3H3;3-6H,1-2H3,(H,11,12,13,14).
What are the key properties of 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine?
2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine has a molecular weight of 877.12 g/mol, XLogP of 8.88, 11 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 157060452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).