tert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C22H28N4O4 — CID 162752705

IUPACtert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(O)COc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c2c(C#N)cnn2c1
InChIInChI=1S/C22H28N4O4/c1-21(2,3)30-20(27)25-8-6-15(7-9-25)18-10-17(29-14-22(4,5)28)13-26-19(18)16(11-23)12-24-26/h6,10,12-13,28H,7-9,14H2,1-5H3
InChIKeyKZHDMWFAXOUEOB-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.38
Rot. Bonds4

About tert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 162752705) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is tert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID162752705
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Nametert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(O)COc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c2c(C#N)cnn2c1
InChIInChI=1S/C22H28N4O4/c1-21(2,3)30-20(27)25-8-6-15(7-9-25)18-10-17(29-14-22(4,5)28)13-26-19(18)16(11-23)12-24-26/h6,10,12-13,28H,7-9,14H2,1-5H3
InChIKeyKZHDMWFAXOUEOB-UHFFFAOYSA-N
XLogP3.38
TPSA100.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

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-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 162752747
tert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 134435714
6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155666101
6-(2-hydroxy-2-methylpropoxy)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 138521644
6-(2-hydroxy-2-methylpropoxy)-4-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242
tert-butyl N-[(2R)-1-[4-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 140872402
tert-butyl 3-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-2,5-dihydropyrrole-1-carboxylate
CID 155180896
6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155405921
2-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2,5-dihydropyrrole-1-carboxylic acid
CID 175927636
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 162360985
tert-butyl 4-[2-cyano-4-(dimethylcarbamoyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 177301225

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 162752705) is tert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(O)COc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c2c(C#N)cnn2c1.
What is the InChIKey of tert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is KZHDMWFAXOUEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-21(2,3)30-20(27)25-8-6-15(7-9-25)18-10-17(29-14-22(4,5)28)13-26-19(18)16(11-23)12-24-26/h6,10,12-13,28H,7-9,14H2,1-5H3.
What are the key properties of tert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 412.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 162752705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).