1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole

C21H16N6 — CID 135988287

IUPAC1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole
SMILESc1ccc(-c2ccc(-c3nc4c(cnn4Cc4cccnc4)[nH]3)cc2)nc1
InChIInChI=1S/C21H16N6/c1-2-11-23-18(5-1)16-6-8-17(9-7-16)20-25-19-13-24-27(21(19)26-20)14-15-4-3-10-22-12-15/h1-13H,14H2,(H,25,26)
InChIKeyRZTNIUFXLFWUQU-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.93
Rot. Bonds4

About 1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole

1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135988287) has the molecular formula C21H16N6 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135988287
Molecular FormulaC21H16N6
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC Name1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole
SMILESc1ccc(-c2ccc(-c3nc4c(cnn4Cc4cccnc4)[nH]3)cc2)nc1
InChIInChI=1S/C21H16N6/c1-2-11-23-18(5-1)16-6-8-17(9-7-16)20-25-19-13-24-27(21(19)26-20)14-15-4-3-10-22-12-15/h1-13H,14H2,(H,25,26)
InChIKeyRZTNIUFXLFWUQU-UHFFFAOYSA-N
XLogP3.93
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-pyridin-2-ylphenyl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
CID 135966366
5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole
CID 135892959
1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole
CID 135876501
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
2-[4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenyl]pyridine
CID 56909379
2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine
CID 101019648
5-methyl-1-(pyridin-3-ylmethyl)pyrazol-4-amine
CID 118365737
2-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568854
4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine
CID 135876509
6-methyl-2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 46947380
2-pyridin-2-yl-5-(5-pyridin-3-yl-2-pyridinyl)pyridine
CID 100956208
2-(pyridin-3-ylmethyl)pyrazol-3-amine
CID 1096899

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole (CID 135988287) is 1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole is c1ccc(-c2ccc(-c3nc4c(cnn4Cc4cccnc4)[nH]3)cc2)nc1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is RZTNIUFXLFWUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6/c1-2-11-23-18(5-1)16-6-8-17(9-7-16)20-25-19-13-24-27(21(19)26-20)14-15-4-3-10-22-12-15/h1-13H,14H2,(H,25,26).
What are the key properties of 1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole?
1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 352.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135988287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).