4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H30FN7O2 — CID 134435246

IUPAC4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1ccc(F)c(NC2[C@@H]3C[C@H]2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)n1
InChIInChI=1S/C29H30FN7O2/c1-17-4-6-24(30)28(34-17)35-26-19-8-20(26)14-36(13-19)25-7-5-18(11-32-25)23-9-22(39-16-29(2,3)38)15-37-27(23)21(10-31)12-33-37/h4-7,9,11-12,15,19-20,26,38H,8,13-14,16H2,1-3H3,(H,34,35)/t19-,20+,26?
InChIKeyVBOIHMGKQVJAGA-NJEHHLDASA-N
MW527.60 g/mol
LogP4.20
Rot. Bonds7

About 4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435246) has the molecular formula C29H30FN7O2 and a molecular weight of 527.60 g/mol. Its IUPAC name is 4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435246
Molecular FormulaC29H30FN7O2
Molecular Weight527.60 g/mol
Exact Mass527.24
IUPAC Name4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1ccc(F)c(NC2[C@@H]3C[C@H]2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)n1
InChIInChI=1S/C29H30FN7O2/c1-17-4-6-24(30)28(34-17)35-26-19-8-20(26)14-36(13-19)25-7-5-18(11-32-25)23-9-22(39-16-29(2,3)38)15-37-27(23)21(10-31)12-33-37/h4-7,9,11-12,15,19-20,26,38H,8,13-14,16H2,1-3H3,(H,34,35)/t19-,20+,26?
InChIKeyVBOIHMGKQVJAGA-NJEHHLDASA-N
XLogP4.20
TPSA111.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.60
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

Selpercatinib
CID 134436906
Soxataltinib
CID 155296190
Ret-IN-1
CID 134437053
tert-Butyl 3-(5-(3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl)pyridin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 134435575
4-(6-(3,6-Diazabicyclo[3.1.1]heptan-3-yl)pyridin-3-yl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436703
US10144734, Example 206
CID 134434568
US10144734, Example 79
CID 134434572
US10144734, Example 92
CID 134434595
US10144734, Example 93
CID 134434596
US10144734, Example 94
CID 134434597
US10144734, Example 83
CID 134434623
US10144734, Example 146
CID 134434671

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435246) is 4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1ccc(F)c(NC2[C@@H]3C[C@H]2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)n1.
What is the InChIKey of 4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is VBOIHMGKQVJAGA-NJEHHLDASA-N. The full InChI is InChI=1S/C29H30FN7O2/c1-17-4-6-24(30)28(34-17)35-26-19-8-20(26)14-36(13-19)25-7-5-18(11-32-25)23-9-22(39-16-29(2,3)38)15-37-27(23)21(10-31)12-33-37/h4-7,9,11-12,15,19-20,26,38H,8,13-14,16H2,1-3H3,(H,34,35)/t19-,20+,26?.
What are the key properties of 4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 527.60 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(1R,5S)-6-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).