5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine

C20H16N4 — CID 90095575

IUPAC5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
SMILESc1cc(-c2ncccc2-c2cnc3[nH]ncc3c2)cc(C2CC2)c1
InChIInChI=1S/C20H16N4/c1-3-14(13-6-7-13)9-15(4-1)19-18(5-2-8-21-19)16-10-17-12-23-24-20(17)22-11-16/h1-5,8-13H,6-7H2,(H,22,23,24)
InChIKeyFBFYHFCNGPQPOZ-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.56
Rot. Bonds3

About 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine

5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine (PubChem CID 90095575) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
PubChem CID90095575
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
SMILESc1cc(-c2ncccc2-c2cnc3[nH]ncc3c2)cc(C2CC2)c1
InChIInChI=1S/C20H16N4/c1-3-14(13-6-7-13)9-15(4-1)19-18(5-2-8-21-19)16-10-17-12-23-24-20(17)22-11-16/h1-5,8-13H,6-7H2,(H,22,23,24)
InChIKeyFBFYHFCNGPQPOZ-UHFFFAOYSA-N
XLogP4.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine (CID 90095575) is 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine is c1cc(-c2ncccc2-c2cnc3[nH]ncc3c2)cc(C2CC2)c1.
What is the InChIKey of 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is FBFYHFCNGPQPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-3-14(13-6-7-13)9-15(4-1)19-18(5-2-8-21-19)16-10-17-12-23-24-20(17)22-11-16/h1-5,8-13H,6-7H2,(H,22,23,24).
What are the key properties of 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine?
5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 312.38 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 90095575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).