(3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide

C28H28N6O3 — CID 134434668

IUPAC(3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC[C@H](C(=O)Nc4ccccc4)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C28H28N6O3/c1-28(2,36)18-37-23-12-24(26-21(13-29)15-31-34(26)17-23)19-8-9-25(30-14-19)33-11-10-20(16-33)27(35)32-22-6-4-3-5-7-22/h3-9,12,14-15,17,20,36H,10-11,16,18H2,1-2H3,(H,32,35)/t20-/m0/s1
InChIKeyJGLSPGWZCXDETK-FQEVSTJZSA-N
MW496.57 g/mol
LogP3.88
Rot. Bonds7

About (3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide

(3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide (PubChem CID 134434668) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is (3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide
PubChem CID134434668
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC Name(3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC[C@H](C(=O)Nc4ccccc4)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C28H28N6O3/c1-28(2,36)18-37-23-12-24(26-21(13-29)15-31-34(26)17-23)19-8-9-25(30-14-19)33-11-10-20(16-33)27(35)32-22-6-4-3-5-7-22/h3-9,12,14-15,17,20,36H,10-11,16,18H2,1-2H3,(H,32,35)/t20-/m0/s1
InChIKeyJGLSPGWZCXDETK-FQEVSTJZSA-N
XLogP3.88
TPSA115.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide with MolForge

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Related Compounds

6-(2-hydroxy-2-methylpropoxy)-4-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242
6-(2-hydroxy-2-methylpropoxy)-4-[6-(3-phenylmethoxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436245
(2R)-N-[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
CID 155406312
4-[6-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 156571566
6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134437142
6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-(2-methoxypyrimidin-5-yl)oxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435128
6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435233
tert-butyl 4-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 134436929
6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-(2-methoxyethoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435814
4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155388179
6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroacetyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436551
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide
CID 134496758

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide (CID 134434668) is (3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide is CC(C)(O)COc1cc(-c2ccc(N3CC[C@H](C(=O)Nc4ccccc4)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of (3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is JGLSPGWZCXDETK-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H28N6O3/c1-28(2,36)18-37-23-12-24(26-21(13-29)15-31-34(26)17-23)19-8-9-25(30-14-19)33-11-10-20(16-33)27(35)32-22-6-4-3-5-7-22/h3-9,12,14-15,17,20,36H,10-11,16,18H2,1-2H3,(H,32,35)/t20-/m0/s1.
What are the key properties of (3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide?
(3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 134434668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).