6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C32H35N3O5 — CID 130230247

IUPAC6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cccc(-c2ccc(OC3CC4(CC(NC(=O)c5cnn6cc(OCC(C)(C)O)ccc56)C4)C3)cc2)c1
InChIInChI=1S/C32H35N3O5/c1-31(2,37)20-39-26-11-12-29-28(18-33-35(29)19-26)30(36)34-23-14-32(15-23)16-27(17-32)40-24-9-7-21(8-10-24)22-5-4-6-25(13-22)38-3/h4-13,18-19,23,27,37H,14-17,20H2,1-3H3,(H,34,36)
InChIKeyKEHDPKKMEGBYBX-UHFFFAOYSA-N
MW541.65 g/mol
LogP5.28
Rot. Bonds9

About 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 130230247) has the molecular formula C32H35N3O5 and a molecular weight of 541.65 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID130230247
Molecular FormulaC32H35N3O5
Molecular Weight541.65 g/mol
Exact Mass541.26
IUPAC Name6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cccc(-c2ccc(OC3CC4(CC(NC(=O)c5cnn6cc(OCC(C)(C)O)ccc56)C4)C3)cc2)c1
InChIInChI=1S/C32H35N3O5/c1-31(2,37)20-39-26-11-12-29-28(18-33-35(29)19-26)30(36)34-23-14-32(15-23)16-27(17-32)40-24-9-7-21(8-10-24)22-5-4-6-25(13-22)38-3/h4-13,18-19,23,27,37H,14-17,20H2,1-3H3,(H,34,36)
InChIKeyKEHDPKKMEGBYBX-UHFFFAOYSA-N
XLogP5.28
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-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 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 130230247) is 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is COc1cccc(-c2ccc(OC3CC4(CC(NC(=O)c5cnn6cc(OCC(C)(C)O)ccc56)C4)C3)cc2)c1.
What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is KEHDPKKMEGBYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O5/c1-31(2,37)20-39-26-11-12-29-28(18-33-35(29)19-26)30(36)34-23-14-32(15-23)16-27(17-32)40-24-9-7-21(8-10-24)22-5-4-6-25(13-22)38-3/h4-13,18-19,23,27,37H,14-17,20H2,1-3H3,(H,34,36).
What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 541.65 g/mol, XLogP of 5.28, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-(3-methoxyphenyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 130230247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).