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

C29H30FN7O3 — CID 134434623

IUPACN-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(C)(NC(=O)c4ncccc4F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H30FN7O3/c1-28(2,39)18-40-21-13-22(26-20(14-31)16-34-37(26)17-21)19-6-7-24(33-15-19)36-11-8-29(3,9-12-36)35-27(38)25-23(30)5-4-10-32-25/h4-7,10,13,15-17,39H,8-9,11-12,18H2,1-3H3,(H,35,38)
InChIKeyUQZWSVJZTXFSAD-UHFFFAOYSA-N
MW543.60 g/mol
LogP3.74
Rot. Bonds7

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

N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide (PubChem CID 134434623) has the molecular formula C29H30FN7O3 and a molecular weight of 543.60 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide
PubChem CID134434623
Molecular FormulaC29H30FN7O3
Molecular Weight543.60 g/mol
Exact Mass543.24
IUPAC NameN-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(C)(NC(=O)c4ncccc4F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H30FN7O3/c1-28(2,39)18-40-21-13-22(26-20(14-31)16-34-37(26)17-21)19-6-7-24(33-15-19)36-11-8-29(3,9-12-36)35-27(38)25-23(30)5-4-10-32-25/h4-7,10,13,15-17,39H,8-9,11-12,18H2,1-3H3,(H,35,38)
InChIKeyUQZWSVJZTXFSAD-UHFFFAOYSA-N
XLogP3.74
TPSA128.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.60
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide 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 N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide?
The IUPAC name of N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide (CID 134434623) is N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide is CC(C)(O)COc1cc(-c2ccc(N3CCC(C)(NC(=O)c4ncccc4F)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide?
The InChIKey is UQZWSVJZTXFSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN7O3/c1-28(2,39)18-40-21-13-22(26-20(14-31)16-34-37(26)17-21)19-6-7-24(33-15-19)36-11-8-29(3,9-12-36)35-27(38)25-23(30)5-4-10-32-25/h4-7,10,13,15-17,39H,8-9,11-12,18H2,1-3H3,(H,35,38).
What are the key properties of N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide?
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide has a molecular weight of 543.60 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 134434623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).