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

C30H30F3N7O3 — CID 134434572

IUPACN-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(C)(NC(=O)c4ncccc4C(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C30H30F3N7O3/c1-28(2,42)18-43-21-13-22(26-20(14-34)16-37-40(26)17-21)19-6-7-24(36-15-19)39-11-8-29(3,9-12-39)38-27(41)25-23(30(31,32)33)5-4-10-35-25/h4-7,10,13,15-17,42H,8-9,11-12,18H2,1-3H3,(H,38,41)
InChIKeyOSORNVJOLCXTMP-UHFFFAOYSA-N
MW593.61 g/mol
LogP4.62
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-(trifluoromethyl)pyridine-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-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 134434572) has the molecular formula C30H30F3N7O3 and a molecular weight of 593.61 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-(trifluoromethyl)pyridine-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-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID134434572
Molecular FormulaC30H30F3N7O3
Molecular Weight593.61 g/mol
Exact Mass593.24
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-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(C)(NC(=O)c4ncccc4C(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C30H30F3N7O3/c1-28(2,42)18-43-21-13-22(26-20(14-34)16-37-40(26)17-21)19-6-7-24(36-15-19)39-11-8-29(3,9-12-39)38-27(41)25-23(30(31,32)33)5-4-10-35-25/h4-7,10,13,15-17,42H,8-9,11-12,18H2,1-3H3,(H,38,41)
InChIKeyOSORNVJOLCXTMP-UHFFFAOYSA-N
XLogP4.62
TPSA128.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.61
LogP ≤ 54.62
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-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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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-(trifluoromethyl)pyridine-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-(trifluoromethyl)pyridine-2-carboxamide (CID 134434572) 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-(trifluoromethyl)pyridine-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-(trifluoromethyl)pyridine-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-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)COc1cc(-c2ccc(N3CCC(C)(NC(=O)c4ncccc4C(F)(F)F)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-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is OSORNVJOLCXTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N7O3/c1-28(2,42)18-43-21-13-22(26-20(14-34)16-37-40(26)17-21)19-6-7-24(36-15-19)39-11-8-29(3,9-12-39)38-27(41)25-23(30(31,32)33)5-4-10-35-25/h4-7,10,13,15-17,42H,8-9,11-12,18H2,1-3H3,(H,38,41).
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-(trifluoromethyl)pyridine-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-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 593.61 g/mol, XLogP of 4.62, 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-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 134434572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).