1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine

C16H11N5 — CID 141095128

IUPAC1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine
SMILESc1ccc(-n2ncc3cc(-c4ccncn4)cnc32)cc1
InChIInChI=1S/C16H11N5/c1-2-4-14(5-3-1)21-16-13(10-20-21)8-12(9-18-16)15-6-7-17-11-19-15/h1-11H
InChIKeyFCDZLDACHIPERT-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.88
Rot. Bonds2

About 1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine

1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine (PubChem CID 141095128) has the molecular formula C16H11N5 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine
PubChem CID141095128
Molecular FormulaC16H11N5
Molecular Weight273.30 g/mol
Exact Mass273.10
IUPAC Name1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine
SMILESc1ccc(-n2ncc3cc(-c4ccncn4)cnc32)cc1
InChIInChI=1S/C16H11N5/c1-2-4-14(5-3-1)21-16-13(10-20-21)8-12(9-18-16)15-6-7-17-11-19-15/h1-11H
InChIKeyFCDZLDACHIPERT-UHFFFAOYSA-N
XLogP2.88
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine
CID 141403325
1-pyridin-4-ylpyrazolo[3,4-b]quinoline
CID 152709994
4-(2-phenyl-4-pyridinyl)pyrimidine
CID 58421020
10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene
CID 10064325
1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
CID 146709658
16,22-bis(4-phenylphenyl)-19-pyrimidin-4-yl-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4,6,8,10,12,14,17,19,21(37),23,25,27,29,31,33,35-heptadecaene
CID 169073126
6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride
CID 21496112
8,14-bis(4-phenylphenyl)-11-pyrimidin-4-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 164941455
4-(3-pyridin-2-ylphenyl)pyrimidine
CID 172541875
1-(3-ethynylphenyl)pyrazolo[3,4-d]pyrimidine
CID 87569752
4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine
CID 59722147
4-(1-methylpyrazol-4-yl)pyrimidine
CID 3477787

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine?
The IUPAC name of 1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine (CID 141095128) is 1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine is c1ccc(-n2ncc3cc(-c4ccncn4)cnc32)cc1.
What is the InChIKey of 1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine?
The InChIKey is FCDZLDACHIPERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5/c1-2-4-14(5-3-1)21-16-13(10-20-21)8-12(9-18-16)15-6-7-17-11-19-15/h1-11H.
What are the key properties of 1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine?
1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine has a molecular weight of 273.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 141095128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).