1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine

C22H15N5 — CID 57381040

IUPAC1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine
SMILESc1ccc(-c2nn(-c3ccccc3)c3cnc(-c4ccncc4)nc23)cc1
InChIInChI=1S/C22H15N5/c1-3-7-16(8-4-1)20-21-19(27(26-20)18-9-5-2-6-10-18)15-24-22(25-21)17-11-13-23-14-12-17/h1-15H
InChIKeyQUIBDGXKKWRMLP-UHFFFAOYSA-N
MW349.40 g/mol
LogP4.54
Rot. Bonds3

About 1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine

1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine (PubChem CID 57381040) has the molecular formula C22H15N5 and a molecular weight of 349.40 g/mol. Its IUPAC name is 1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine
PubChem CID57381040
Molecular FormulaC22H15N5
Molecular Weight349.40 g/mol
Exact Mass349.13
IUPAC Name1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine
SMILESc1ccc(-c2nn(-c3ccccc3)c3cnc(-c4ccncc4)nc23)cc1
InChIInChI=1S/C22H15N5/c1-3-7-16(8-4-1)20-21-19(27(26-20)18-9-5-2-6-10-18)15-24-22(25-21)17-11-13-23-14-12-17/h1-15H
InChIKeyQUIBDGXKKWRMLP-UHFFFAOYSA-N
XLogP4.54
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine
CID 57380816
4-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine
CID 134860533
2-phenyl-4-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 149165836
5-chloro-1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 86037887
3-(4-methoxyphenyl)-1-phenylpyrazolo[4,3-c][1,6]naphthyridine
CID 97032775
2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine
CID 57330080
6-(4,6-diphenylpyrimido[5,4-d]pyrimidin-2-yl)-31-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949842
9-phenyl-2-pyridin-3-ylpurine
CID 67147959
2-(2,5-diphenyl-1,2,4-triazol-3-yl)pyridine
CID 102454692
2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine
CID 146569234
1-phenyl-6-pyridin-2-yl-3-pyridin-4-ylpyrazolo[5,4-b]quinoline
CID 147720550
4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine
CID 110172397

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine?
The IUPAC name of 1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine (CID 57381040) is 1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine is c1ccc(-c2nn(-c3ccccc3)c3cnc(-c4ccncc4)nc23)cc1.
What is the InChIKey of 1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine?
The InChIKey is QUIBDGXKKWRMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5/c1-3-7-16(8-4-1)20-21-19(27(26-20)18-9-5-2-6-10-18)15-24-22(25-21)17-11-13-23-14-12-17/h1-15H.
What are the key properties of 1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine?
1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine has a molecular weight of 349.40 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 57381040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).