1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine

C24H24N6 — CID 121400777

IUPAC1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine
SMILESCn1cc(-c2ccc(-c3ncccc3N3CCN(c4ccncc4)CC3)cc2)cn1
InChIInChI=1S/C24H24N6/c1-28-18-21(17-27-28)19-4-6-20(7-5-19)24-23(3-2-10-26-24)30-15-13-29(14-16-30)22-8-11-25-12-9-22/h2-12,17-18H,13-16H2,1H3
InChIKeyWTHUQGDPJRRVHU-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.87
Rot. Bonds4

About 1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine

1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine (PubChem CID 121400777) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine
PubChem CID121400777
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine
SMILESCn1cc(-c2ccc(-c3ncccc3N3CCN(c4ccncc4)CC3)cc2)cn1
InChIInChI=1S/C24H24N6/c1-28-18-21(17-27-28)19-4-6-20(7-5-19)24-23(3-2-10-26-24)30-15-13-29(14-16-30)22-8-11-25-12-9-22/h2-12,17-18H,13-16H2,1H3
InChIKeyWTHUQGDPJRRVHU-UHFFFAOYSA-N
XLogP3.87
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine
CID 121400771
3-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]quinoline
CID 121400763
1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 59321981
2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-pyridin-4-ylpiperazin-1-yl)aniline
CID 166710949
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one
CID 58016351
1-[[5-(1-methylpyrazol-4-yl)-2-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-4-pyridin-4-ylpiperazine
CID 167842431
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
1-methyl-4-[3-(1-methylpyrazol-4-yl)phenyl]piperazine
CID 137468196
N-[2-[4-[2-[4-(cyanomethyl)phenyl]-3-pyridinyl]piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 59252207
2-deuterio-4-(1-methylpyrazol-4-yl)pyridine
CID 175847342
(3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one
CID 97075628

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine (CID 121400777) is 1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine is Cn1cc(-c2ccc(-c3ncccc3N3CCN(c4ccncc4)CC3)cc2)cn1.
What is the InChIKey of 1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine?
The InChIKey is WTHUQGDPJRRVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-28-18-21(17-27-28)19-4-6-20(7-5-19)24-23(3-2-10-26-24)30-15-13-29(14-16-30)22-8-11-25-12-9-22/h2-12,17-18H,13-16H2,1H3.
What are the key properties of 1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine?
1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine has a molecular weight of 396.50 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 121400777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).