4,6-bis(3-pyridin-2-ylpyrazol-1-yl)pyrimidine

C20H14N8 — CID 91436516

IUPAC4,6-bis(3-pyridin-2-ylpyrazol-1-yl)pyrimidine
SMILESc1ccc(-c2ccn(-c3cc(-n4ccc(-c5ccccn5)n4)ncn3)n2)nc1
InChIInChI=1S/C20H14N8/c1-3-9-21-15(5-1)17-7-11-27(25-17)19-13-20(24-14-23-19)28-12-8-18(26-28)16-6-2-4-10-22-16/h1-14H
InChIKeyUGUBXQTZHUZENE-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.97
Rot. Bonds4

About 4,6-bis(3-pyridin-2-ylpyrazol-1-yl)pyrimidine

4,6-bis(3-pyridin-2-ylpyrazol-1-yl)pyrimidine (PubChem CID 91436516) has the molecular formula C20H14N8 and a molecular weight of 366.39 g/mol. Its IUPAC name is 4,6-bis(3-pyridin-2-ylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4,6-bis(3-pyridin-2-ylpyrazol-1-yl)pyrimidine
PubChem CID91436516
Molecular FormulaC20H14N8
Molecular Weight366.39 g/mol
Exact Mass366.13
IUPAC Name4,6-bis(3-pyridin-2-ylpyrazol-1-yl)pyrimidine
SMILESc1ccc(-c2ccn(-c3cc(-n4ccc(-c5ccccn5)n4)ncn3)n2)nc1
InChIInChI=1S/C20H14N8/c1-3-9-21-15(5-1)17-7-11-27(25-17)19-13-20(24-14-23-19)28-12-8-18(26-28)16-6-2-4-10-22-16/h1-14H
InChIKeyUGUBXQTZHUZENE-UHFFFAOYSA-N
XLogP2.97
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Tt-301
CID 54576073
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826
2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]acetamide
CID 24768411
3-[2-Methyl-6-(Pyrazin-2-Ylamino)pyrimidin-4-Yl]-N-(1h-Pyrazol-3-Yl)imidazo[1,2-B]pyridazin-2-Amine
CID 62706651
5,8-Dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 71153264
US10336761, Example 57
CID 135262410
2-Methyl-7-(2-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 610950
1-Phenyl-4-[4-[phenyl(2-pyridyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
CID 3011482
6-[4-(2-Pyridyl)piperazino][1,2,4]triazolo[4,3-B]pyridazine
CID 9550140
3,5,6-Tri(pyridin-2-yl)-1,2,4-triazine
CID 473557
Minozac free base
CID 11515480

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3-pyridin-2-ylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4,6-bis(3-pyridin-2-ylpyrazol-1-yl)pyrimidine (CID 91436516) is 4,6-bis(3-pyridin-2-ylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4,6-bis(3-pyridin-2-ylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4,6-bis(3-pyridin-2-ylpyrazol-1-yl)pyrimidine is c1ccc(-c2ccn(-c3cc(-n4ccc(-c5ccccn5)n4)ncn3)n2)nc1.
What is the InChIKey of 4,6-bis(3-pyridin-2-ylpyrazol-1-yl)pyrimidine?
The InChIKey is UGUBXQTZHUZENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N8/c1-3-9-21-15(5-1)17-7-11-27(25-17)19-13-20(24-14-23-19)28-12-8-18(26-28)16-6-2-4-10-22-16/h1-14H.
What are the key properties of 4,6-bis(3-pyridin-2-ylpyrazol-1-yl)pyrimidine?
4,6-bis(3-pyridin-2-ylpyrazol-1-yl)pyrimidine has a molecular weight of 366.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3-pyridin-2-ylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 91436516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).