5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile

C24H23FN6O — CID 134327640

IUPAC5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile
SMILESCNCc1cc(C)c(-c2nc3c(-c4ccc(C(C)(C)O)nc4)n[nH]c3cc2C#N)c(F)c1
InChIInChI=1S/C24H23FN6O/c1-13-7-14(11-27-4)8-17(25)20(13)21-16(10-26)9-18-23(29-21)22(31-30-18)15-5-6-19(28-12-15)24(2,3)32/h5-9,12,27,32H,11H2,1-4H3,(H,30,31)
InChIKeyNIBZVYUSORCDBK-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.95
Rot. Bonds5

About 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile

5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile (PubChem CID 134327640) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile
PubChem CID134327640
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile
SMILESCNCc1cc(C)c(-c2nc3c(-c4ccc(C(C)(C)O)nc4)n[nH]c3cc2C#N)c(F)c1
InChIInChI=1S/C24H23FN6O/c1-13-7-14(11-27-4)8-17(25)20(13)21-16(10-26)9-18-23(29-21)22(31-30-18)15-5-6-19(28-12-15)24(2,3)32/h5-9,12,27,32H,11H2,1-4H3,(H,30,31)
InChIKeyNIBZVYUSORCDBK-UHFFFAOYSA-N
XLogP3.95
TPSA110.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile?
The IUPAC name of 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile (CID 134327640) is 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile.
What is the SMILES notation for 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile?
The canonical SMILES for 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile is CNCc1cc(C)c(-c2nc3c(-c4ccc(C(C)(C)O)nc4)n[nH]c3cc2C#N)c(F)c1.
What is the InChIKey of 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile?
The InChIKey is NIBZVYUSORCDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-13-7-14(11-27-4)8-17(25)20(13)21-16(10-26)9-18-23(29-21)22(31-30-18)15-5-6-19(28-12-15)24(2,3)32/h5-9,12,27,32H,11H2,1-4H3,(H,30,31).
What are the key properties of 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile?
5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile has a molecular weight of 430.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile is sourced from PubChem (CID 134327640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).