N-ethoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

C24H28N4O3 — CID 135125282

IUPACN-ethoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESCCONC(=O)N1CCC2(CCc3cc(-c4ccc5ccnn5c4C)ccc3O2)CC1
InChIInChI=1S/C24H28N4O3/c1-3-30-26-23(29)27-14-11-24(12-15-27)10-8-19-16-18(4-7-22(19)31-24)21-6-5-20-9-13-25-28(20)17(21)2/h4-7,9,13,16H,3,8,10-12,14-15H2,1-2H3,(H,26,29)
InChIKeyKLRWCZKHYOCOGK-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.13
Rot. Bonds3

About N-ethoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

N-ethoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 135125282) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-ethoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-ethoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
PubChem CID135125282
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-ethoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESCCONC(=O)N1CCC2(CCc3cc(-c4ccc5ccnn5c4C)ccc3O2)CC1
InChIInChI=1S/C24H28N4O3/c1-3-30-26-23(29)27-14-11-24(12-15-27)10-8-19-16-18(4-7-22(19)31-24)21-6-5-20-9-13-25-28(20)17(21)2/h4-7,9,13,16H,3,8,10-12,14-15H2,1-2H3,(H,26,29)
InChIKeyKLRWCZKHYOCOGK-UHFFFAOYSA-N
XLogP4.13
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-ethoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (CID 135125282) is N-ethoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-ethoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-ethoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is CCONC(=O)N1CCC2(CCc3cc(-c4ccc5ccnn5c4C)ccc3O2)CC1.
What is the InChIKey of N-ethoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is KLRWCZKHYOCOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-30-26-23(29)27-14-11-24(12-15-27)10-8-19-16-18(4-7-22(19)31-24)21-6-5-20-9-13-25-28(20)17(21)2/h4-7,9,13,16H,3,8,10-12,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-ethoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
N-ethoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 135125282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).