4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride

C37H39ClN6O — CID 159166579

IUPAC4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride
SMILESCc1cc(-c2cc(C)c(-c3ccccc3)cn2)n(C2CCCCO2)n1.Cc1cc(-c2cc(C)c(-c3ccccc3)cn2)n[nH]1.Cl
InChIInChI=1S/C21H23N3O.C16H15N3.ClH/c1-15-12-19(22-14-18(15)17-8-4-3-5-9-17)20-13-16(2)23-24(20)21-10-6-7-11-25-21;1-11-8-15(16-9-12(2)18-19-16)17-10-14(11)13-6-4-3-5-7-13;/h3-5,8-9,12-14,21H,6-7,10-11H2,1-2H3;3-10H,1-2H3,(H,18,19);1H
InChIKeyFSTPAFJZAQJYOZ-UHFFFAOYSA-N
MW619.21 g/mol
LogP9.11
Rot. Bonds5

About 4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride

4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride (PubChem CID 159166579) has the molecular formula C37H39ClN6O and a molecular weight of 619.21 g/mol. Its IUPAC name is 4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride
PubChem CID159166579
Molecular FormulaC37H39ClN6O
Molecular Weight619.21 g/mol
Exact Mass618.29
IUPAC Name4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride
SMILESCc1cc(-c2cc(C)c(-c3ccccc3)cn2)n(C2CCCCO2)n1.Cc1cc(-c2cc(C)c(-c3ccccc3)cn2)n[nH]1.Cl
InChIInChI=1S/C21H23N3O.C16H15N3.ClH/c1-15-12-19(22-14-18(15)17-8-4-3-5-9-17)20-13-16(2)23-24(20)21-10-6-7-11-25-21;1-11-8-15(16-9-12(2)18-19-16)17-10-14(11)13-6-4-3-5-7-13;/h3-5,8-9,12-14,21H,6-7,10-11H2,1-2H3;3-10H,1-2H3,(H,18,19);1H
InChIKeyFSTPAFJZAQJYOZ-UHFFFAOYSA-N
XLogP9.11
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.21
LogP ≤ 59.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]morpholine;hydrochloride
CID 10274521
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4-[3-(2-Pyridinyl)-1h-pyrazol-4-yl]-2-[4-(1-pyrrolidinylmethyl)phenyl]pyridine
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N-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)phenyl)tetrahydro-2H-pyran-4-carboxamide
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2-[3-methylphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
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2-(1-Methyl-1H-pyrazol-4-yl)-4-[3-(2-pyridinyl)-1H-pyrazol-4-yl]pyridine
CID 56666809
2-(2-methylphenyl)-4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]pyridine
CID 11594774
(3R)-3-methyl-2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane
CID 166490625
2-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride?
The IUPAC name of 4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride (CID 159166579) is 4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride.
What is the SMILES notation for 4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride?
The canonical SMILES for 4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride is Cc1cc(-c2cc(C)c(-c3ccccc3)cn2)n(C2CCCCO2)n1.Cc1cc(-c2cc(C)c(-c3ccccc3)cn2)n[nH]1.Cl.
What is the InChIKey of 4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride?
The InChIKey is FSTPAFJZAQJYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O.C16H15N3.ClH/c1-15-12-19(22-14-18(15)17-8-4-3-5-9-17)20-13-16(2)23-24(20)21-10-6-7-11-25-21;1-11-8-15(16-9-12(2)18-19-16)17-10-14(11)13-6-4-3-5-7-13;/h3-5,8-9,12-14,21H,6-7,10-11H2,1-2H3;3-10H,1-2H3,(H,18,19);1H.
What are the key properties of 4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride?
4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride has a molecular weight of 619.21 g/mol, XLogP of 9.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride is sourced from PubChem (CID 159166579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).