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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Related Compounds

Ly-2584702
CID 25118925
PP121
CID 24905142
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Decoglurant
CID 71533696
R121919
CID 9821250
PF-04254644
CID 24871823
FR-180204
CID 11493598
4-(3-Methylphenyl)-6-[(1-Methylpyrazol-3-Yl)amino]-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86275848
(3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
CID 155570095
(3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
CID 155570096
3-[4-[2-(4-piperidin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 155570099
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100

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).