(2,5-dipropylpiperazin-1-yl)-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone

C24H30FN5O2 — CID 136507808

IUPAC(2,5-dipropylpiperazin-1-yl)-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
SMILESCCCC1CN(C(=O)c2cc(-c3ccc(O)cc3F)nc3n[nH]c(C)c23)C(CCC)CN1
InChIInChI=1S/C24H30FN5O2/c1-4-6-15-13-30(16(7-5-2)12-26-15)24(32)19-11-21(18-9-8-17(31)10-20(18)25)27-23-22(19)14(3)28-29-23/h8-11,15-16,26,31H,4-7,12-13H2,1-3H3,(H,27,28,29)
InChIKeyIRFMJYVUDRCRFI-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.16
Rot. Bonds6

About (2,5-dipropylpiperazin-1-yl)-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone

(2,5-dipropylpiperazin-1-yl)-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone (PubChem CID 136507808) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is (2,5-dipropylpiperazin-1-yl)-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-dipropylpiperazin-1-yl)-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
PubChem CID136507808
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Name(2,5-dipropylpiperazin-1-yl)-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
SMILESCCCC1CN(C(=O)c2cc(-c3ccc(O)cc3F)nc3n[nH]c(C)c23)C(CCC)CN1
InChIInChI=1S/C24H30FN5O2/c1-4-6-15-13-30(16(7-5-2)12-26-15)24(32)19-11-21(18-9-8-17(31)10-20(18)25)27-23-22(19)14(3)28-29-23/h8-11,15-16,26,31H,4-7,12-13H2,1-3H3,(H,27,28,29)
InChIKeyIRFMJYVUDRCRFI-UHFFFAOYSA-N
XLogP4.16
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dipropylpiperazin-1-yl)-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone?
The IUPAC name of (2,5-dipropylpiperazin-1-yl)-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone (CID 136507808) is (2,5-dipropylpiperazin-1-yl)-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for (2,5-dipropylpiperazin-1-yl)-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone?
The canonical SMILES for (2,5-dipropylpiperazin-1-yl)-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone is CCCC1CN(C(=O)c2cc(-c3ccc(O)cc3F)nc3n[nH]c(C)c23)C(CCC)CN1.
What is the InChIKey of (2,5-dipropylpiperazin-1-yl)-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone?
The InChIKey is IRFMJYVUDRCRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-4-6-15-13-30(16(7-5-2)12-26-15)24(32)19-11-21(18-9-8-17(31)10-20(18)25)27-23-22(19)14(3)28-29-23/h8-11,15-16,26,31H,4-7,12-13H2,1-3H3,(H,27,28,29).
What are the key properties of (2,5-dipropylpiperazin-1-yl)-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone?
(2,5-dipropylpiperazin-1-yl)-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone has a molecular weight of 439.54 g/mol, XLogP of 4.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dipropylpiperazin-1-yl)-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 136507808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).