3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine

C82H121FN16O2 — CID 157420131

IUPAC3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine
SMILESCC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1cnn(C)c1.CC(C)c1ncccc1F.CC(C)c1ncccc1O.CC(C)c1ncccn1.CC(C)n1cccn1.CC(C)n1ccnc1.COc1ccc(C(C)C)cn1
InChIInChI=1S/C9H13NO.C8H10FN.C8H11NO.3C8H11N.2C7H12N2.C7H10N2.2C6H10N2/c1-7(2)8-4-5-9(11-3)10-6-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-7(10)4-3-5-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-8-4-3-5-9-7;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8/h4-7H,1-3H3;3-6H,1-2H3;3-6,10H,1-2H3;3*3-7H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3;2*3-6H,1-2H3
InChIKeyBPHQJLZXUDETOP-UHFFFAOYSA-N
MW1381.98 g/mol
LogP20.70
Rot. Bonds12

About 3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine

3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine (PubChem CID 157420131) has the molecular formula C82H121FN16O2 and a molecular weight of 1381.98 g/mol. Its IUPAC name is 3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine
PubChem CID157420131
Molecular FormulaC82H121FN16O2
Molecular Weight1381.98 g/mol
Exact Mass1380.98
IUPAC Name3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine
SMILESCC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1cnn(C)c1.CC(C)c1ncccc1F.CC(C)c1ncccc1O.CC(C)c1ncccn1.CC(C)n1cccn1.CC(C)n1ccnc1.COc1ccc(C(C)C)cn1
InChIInChI=1S/C9H13NO.C8H10FN.C8H11NO.3C8H11N.2C7H12N2.C7H10N2.2C6H10N2/c1-7(2)8-4-5-9(11-3)10-6-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-7(10)4-3-5-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-8-4-3-5-9-7;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8/h4-7H,1-3H3;3-6H,1-2H3;3-6,10H,1-2H3;3*3-7H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3;2*3-6H,1-2H3
InChIKeyBPHQJLZXUDETOP-UHFFFAOYSA-N
XLogP20.70
TPSA203.86 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001381.98
LogP ≤ 520.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

3-[4-Amino-1-[[5-methyl-4-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]oxypyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90345023
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-[[4-[4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124012055
2-[2-(6-Fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 126557455
2-[2-(6-fluoro-3,7-dimethylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-8-[2-[(1S)-2-(6-fluoro-8-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 126557475
5-[(2R)-2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine
CID 147282137
5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine
CID 147906050
2-fluoro-3-[(E)-hydroxyiminomethyl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-ol
CID 156057628
5-[2-(3-Fluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine
CID 156198202
5-[2-(3,6-Difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine
CID 156198229
8-methoxy-6-[5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4-(trifluoromethyl)-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 156321462
8-methoxy-6-[5-[4-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 156321611
1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
CID 157184423

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine?
The IUPAC name of 3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine (CID 157420131) is 3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine.
What is the SMILES notation for 3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine?
The canonical SMILES for 3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine is CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1cnn(C)c1.CC(C)c1ncccc1F.CC(C)c1ncccc1O.CC(C)c1ncccn1.CC(C)n1cccn1.CC(C)n1ccnc1.COc1ccc(C(C)C)cn1.
What is the InChIKey of 3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine?
The InChIKey is BPHQJLZXUDETOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C8H10FN.C8H11NO.3C8H11N.2C7H12N2.C7H10N2.2C6H10N2/c1-7(2)8-4-5-9(11-3)10-6-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-7(10)4-3-5-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-8-4-3-5-9-7;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8/h4-7H,1-3H3;3-6H,1-2H3;3-6,10H,1-2H3;3*3-7H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine?
3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine has a molecular weight of 1381.98 g/mol, XLogP of 20.70, 12 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylpyrimidine is sourced from PubChem (CID 157420131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).