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

C43H51ClN6O — CID 158914525

IUPAC2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride
SMILESCc1cc(-c2cc(CC(C)C)c(-c3ccccc3)cn2)n(C2CCCCO2)n1.Cc1cc(-c2cc(CC(C)C)c(-c3ccccc3)cn2)n[nH]1.Cl
InChIInChI=1S/C24H29N3O.C19H21N3.ClH/c1-17(2)13-20-15-22(25-16-21(20)19-9-5-4-6-10-19)23-14-18(3)26-27(23)24-11-7-8-12-28-24;1-13(2)9-16-11-18(19-10-14(3)21-22-19)20-12-17(16)15-7-5-4-6-8-15;/h4-6,9-10,14-17,24H,7-8,11-13H2,1-3H3;4-8,10-13H,9H2,1-3H3,(H,21,22);1H
InChIKeyBYVMOPDHIHJCTJ-UHFFFAOYSA-N
MW703.38 g/mol
LogP10.89
Rot. Bonds9

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

2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride (PubChem CID 158914525) has the molecular formula C43H51ClN6O and a molecular weight of 703.38 g/mol. Its IUPAC name is 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride.

Molecular Properties

Compound Name2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride
PubChem CID158914525
Molecular FormulaC43H51ClN6O
Molecular Weight703.38 g/mol
Exact Mass702.38
IUPAC Name2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride
SMILESCc1cc(-c2cc(CC(C)C)c(-c3ccccc3)cn2)n(C2CCCCO2)n1.Cc1cc(-c2cc(CC(C)C)c(-c3ccccc3)cn2)n[nH]1.Cl
InChIInChI=1S/C24H29N3O.C19H21N3.ClH/c1-17(2)13-20-15-22(25-16-21(20)19-9-5-4-6-10-19)23-14-18(3)26-27(23)24-11-7-8-12-28-24;1-13(2)9-16-11-18(19-10-14(3)21-22-19)20-12-17(16)15-7-5-4-6-8-15;/h4-6,9-10,14-17,24H,7-8,11-13H2,1-3H3;4-8,10-13H,9H2,1-3H3,(H,21,22);1H
InChIKeyBYVMOPDHIHJCTJ-UHFFFAOYSA-N
XLogP10.89
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.38
LogP ≤ 510.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 10201693
4-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]morpholine;hydrochloride
CID 10274521
4-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzyl)morpholine
CID 10274522
4-[3-(2-Pyridinyl)-1h-pyrazol-4-yl]-2-[4-(1-pyrrolidinylmethyl)phenyl]pyridine
CID 10293214
N-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)phenyl)tetrahydro-2H-pyran-4-carboxamide
CID 11626023
N-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzyl)tetrahydro-2H-pyran-3-amine
CID 45487422
2-(1-Methyl-1H-pyrazol-4-yl)-4-[3-(2-pyridinyl)-1H-pyrazol-4-yl]pyridine
CID 56666809
(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
CID 166490665
2-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane
CID 166490692
(3S)-3-methyl-2-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-8-oxa-2-azaspiro[4.5]decane
CID 166490740

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride?
The IUPAC name of 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride (CID 158914525) is 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride.
What is the SMILES notation for 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride?
The canonical SMILES for 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride is Cc1cc(-c2cc(CC(C)C)c(-c3ccccc3)cn2)n(C2CCCCO2)n1.Cc1cc(-c2cc(CC(C)C)c(-c3ccccc3)cn2)n[nH]1.Cl.
What is the InChIKey of 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride?
The InChIKey is BYVMOPDHIHJCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O.C19H21N3.ClH/c1-17(2)13-20-15-22(25-16-21(20)19-9-5-4-6-10-19)23-14-18(3)26-27(23)24-11-7-8-12-28-24;1-13(2)9-16-11-18(19-10-14(3)21-22-19)20-12-17(16)15-7-5-4-6-8-15;/h4-6,9-10,14-17,24H,7-8,11-13H2,1-3H3;4-8,10-13H,9H2,1-3H3,(H,21,22);1H.
What are the key properties of 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride?
2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride has a molecular weight of 703.38 g/mol, XLogP of 10.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride is sourced from PubChem (CID 158914525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).