(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone

C23H25N3O3 — CID 162635771

IUPAC(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCOc1cccc2c1C1(CCN(C(=O)c3cnn4cccc(C)c34)CC1)OCC2
InChIInChI=1S/C23H25N3O3/c1-16-5-4-11-26-21(16)18(15-24-26)22(27)25-12-9-23(10-13-25)20-17(8-14-29-23)6-3-7-19(20)28-2/h3-7,11,15H,8-10,12-14H2,1-2H3
InChIKeyYKOPXRLRDGIXPF-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.36
Rot. Bonds2

About (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone

(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 162635771) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID162635771
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCOc1cccc2c1C1(CCN(C(=O)c3cnn4cccc(C)c34)CC1)OCC2
InChIInChI=1S/C23H25N3O3/c1-16-5-4-11-26-21(16)18(15-24-26)22(27)25-12-9-23(10-13-25)20-17(8-14-29-23)6-3-7-19(20)28-2/h3-7,11,15H,8-10,12-14H2,1-2H3
InChIKeyYKOPXRLRDGIXPF-UHFFFAOYSA-N
XLogP3.36
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone (CID 162635771) is (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone is COc1cccc2c1C1(CCN(C(=O)c3cnn4cccc(C)c34)CC1)OCC2.
What is the InChIKey of (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is YKOPXRLRDGIXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-5-4-11-26-21(16)18(15-24-26)22(27)25-12-9-23(10-13-25)20-17(8-14-29-23)6-3-7-19(20)28-2/h3-7,11,15H,8-10,12-14H2,1-2H3.
What are the key properties of (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 391.47 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 162635771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).