N-[4-(2-carbamoyl-5-hydroxyphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

C25H30N4O6 — CID 137413287

IUPACN-[4-(2-carbamoyl-5-hydroxyphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(O)COc1ccc2c(C(=O)NC3CCC(Oc4cc(O)ccc4C(N)=O)CC3)cnn2c1
InChIInChI=1S/C25H30N4O6/c1-25(2,33)14-34-18-8-10-21-20(12-27-29(21)13-18)24(32)28-15-3-6-17(7-4-15)35-22-11-16(30)5-9-19(22)23(26)31/h5,8-13,15,17,30,33H,3-4,6-7,14H2,1-2H3,(H2,26,31)(H,28,32)
InChIKeyWJRZXOKJZROVNL-UHFFFAOYSA-N
MW482.54 g/mol
LogP2.41
Rot. Bonds8

About N-[4-(2-carbamoyl-5-hydroxyphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

N-[4-(2-carbamoyl-5-hydroxyphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 137413287) has the molecular formula C25H30N4O6 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[4-(2-carbamoyl-5-hydroxyphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-carbamoyl-5-hydroxyphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID137413287
Molecular FormulaC25H30N4O6
Molecular Weight482.54 g/mol
Exact Mass482.22
IUPAC NameN-[4-(2-carbamoyl-5-hydroxyphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(O)COc1ccc2c(C(=O)NC3CCC(Oc4cc(O)ccc4C(N)=O)CC3)cnn2c1
InChIInChI=1S/C25H30N4O6/c1-25(2,33)14-34-18-8-10-21-20(12-27-29(21)13-18)24(32)28-15-3-6-17(7-4-15)35-22-11-16(30)5-9-19(22)23(26)31/h5,8-13,15,17,30,33H,3-4,6-7,14H2,1-2H3,(H2,26,31)(H,28,32)
InChIKeyWJRZXOKJZROVNL-UHFFFAOYSA-N
XLogP2.41
TPSA148.41 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbamoyl-5-hydroxyphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-carbamoyl-5-hydroxyphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 137413287) is N-[4-(2-carbamoyl-5-hydroxyphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-carbamoyl-5-hydroxyphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-carbamoyl-5-hydroxyphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(O)COc1ccc2c(C(=O)NC3CCC(Oc4cc(O)ccc4C(N)=O)CC3)cnn2c1.
What is the InChIKey of N-[4-(2-carbamoyl-5-hydroxyphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is WJRZXOKJZROVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O6/c1-25(2,33)14-34-18-8-10-21-20(12-27-29(21)13-18)24(32)28-15-3-6-17(7-4-15)35-22-11-16(30)5-9-19(22)23(26)31/h5,8-13,15,17,30,33H,3-4,6-7,14H2,1-2H3,(H2,26,31)(H,28,32).
What are the key properties of N-[4-(2-carbamoyl-5-hydroxyphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[4-(2-carbamoyl-5-hydroxyphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 2.41, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbamoyl-5-hydroxyphenoxy)cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 137413287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).