1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

C23H24FN9O — CID 135185327

IUPAC1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)(F)CCc1cn(-c2cnc(-n3ncc4cc(C#N)cnc43)cc2N[C@@H]2CCOC2)nn1
InChIInChI=1S/C23H24FN9O/c1-23(2,24)5-3-17-13-32(31-30-17)20-12-26-21(8-19(20)29-18-4-6-34-14-18)33-22-16(11-28-33)7-15(9-25)10-27-22/h7-8,10-13,18H,3-6,14H2,1-2H3,(H,26,29)/t18-/m1/s1
InChIKeyNIDYJZRGTBGNQZ-GOSISDBHSA-N
MW461.51 g/mol
LogP3.15
Rot. Bonds7

About 1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135185327) has the molecular formula C23H24FN9O and a molecular weight of 461.51 g/mol. Its IUPAC name is 1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135185327
Molecular FormulaC23H24FN9O
Molecular Weight461.51 g/mol
Exact Mass461.21
IUPAC Name1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)(F)CCc1cn(-c2cnc(-n3ncc4cc(C#N)cnc43)cc2N[C@@H]2CCOC2)nn1
InChIInChI=1S/C23H24FN9O/c1-23(2,24)5-3-17-13-32(31-30-17)20-12-26-21(8-19(20)29-18-4-6-34-14-18)33-22-16(11-28-33)7-15(9-25)10-27-22/h7-8,10-13,18H,3-6,14H2,1-2H3,(H,26,29)/t18-/m1/s1
InChIKeyNIDYJZRGTBGNQZ-GOSISDBHSA-N
XLogP3.15
TPSA119.36 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135185327) is 1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is CC(C)(F)CCc1cn(-c2cnc(-n3ncc4cc(C#N)cnc43)cc2N[C@@H]2CCOC2)nn1.
What is the InChIKey of 1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is NIDYJZRGTBGNQZ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24FN9O/c1-23(2,24)5-3-17-13-32(31-30-17)20-12-26-21(8-19(20)29-18-4-6-34-14-18)33-22-16(11-28-33)7-15(9-25)10-27-22/h7-8,10-13,18H,3-6,14H2,1-2H3,(H,26,29)/t18-/m1/s1.
What are the key properties of 1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 461.51 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(3-fluoro-3-methylbutyl)triazol-1-yl]-4-[[(3R)-oxolan-3-yl]amino]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135185327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).