2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine

C25H27N7O — CID 171517360

IUPAC2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine
SMILESCOc1cccc(C)c1-c1nccc(-c2cnn(-c3cccc(N4CCN(C)CC4)n3)c2)n1
InChIInChI=1S/C25H27N7O/c1-18-6-4-7-21(33-3)24(18)25-26-11-10-20(28-25)19-16-27-32(17-19)23-9-5-8-22(29-23)31-14-12-30(2)13-15-31/h4-11,16-17H,12-15H2,1-3H3
InChIKeyLYQWWEVVONXVEU-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.46
Rot. Bonds5

About 2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine

2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine (PubChem CID 171517360) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine
PubChem CID171517360
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine
SMILESCOc1cccc(C)c1-c1nccc(-c2cnn(-c3cccc(N4CCN(C)CC4)n3)c2)n1
InChIInChI=1S/C25H27N7O/c1-18-6-4-7-21(33-3)24(18)25-26-11-10-20(28-25)19-16-27-32(17-19)23-9-5-8-22(29-23)31-14-12-30(2)13-15-31/h4-11,16-17H,12-15H2,1-3H3
InChIKeyLYQWWEVVONXVEU-UHFFFAOYSA-N
XLogP3.46
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine
CID 171517462
2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 171517278
4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 46992065
(3R,5S)-5-(aminomethyl)-1-[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol
CID 171517422
(1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine
CID 171517345
2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 171517471
(2S)-2-[[4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidin-2-yl]amino]-2-phenylethanol
CID 171517385
6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 171517285
[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane
CID 171517474
2-(2-methoxy-6-methylphenyl)pyrimidine
CID 166845053
2-methoxy-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine
CID 10286006
4-methoxy-2-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)benzene-1,3-diamine
CID 175013188

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine?
The IUPAC name of 2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine (CID 171517360) is 2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine.
What is the SMILES notation for 2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine?
The canonical SMILES for 2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine is COc1cccc(C)c1-c1nccc(-c2cnn(-c3cccc(N4CCN(C)CC4)n3)c2)n1.
What is the InChIKey of 2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine?
The InChIKey is LYQWWEVVONXVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-18-6-4-7-21(33-3)24(18)25-26-11-10-20(28-25)19-16-27-32(17-19)23-9-5-8-22(29-23)31-14-12-30(2)13-15-31/h4-11,16-17H,12-15H2,1-3H3.
What are the key properties of 2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine?
2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine has a molecular weight of 441.54 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine is sourced from PubChem (CID 171517360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).