1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one

C25H28N4O4 — CID 46830214

IUPAC1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
SMILESCc1[nH]nc2c(C)cc(C(=O)N3CCC4(CC3)CC(=O)c3c(ccnc3OC(C)C)O4)cc12
InChIInChI=1S/C25H28N4O4/c1-14(2)32-23-21-19(30)13-25(33-20(21)5-8-26-23)6-9-29(10-7-25)24(31)17-11-15(3)22-18(12-17)16(4)27-28-22/h5,8,11-12,14H,6-7,9-10,13H2,1-4H3,(H,27,28)
InChIKeyCJQMOIBIIDORDY-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.00
Rot. Bonds3

About 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one

1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one (PubChem CID 46830214) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
PubChem CID46830214
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
SMILESCc1[nH]nc2c(C)cc(C(=O)N3CCC4(CC3)CC(=O)c3c(ccnc3OC(C)C)O4)cc12
InChIInChI=1S/C25H28N4O4/c1-14(2)32-23-21-19(30)13-25(33-20(21)5-8-26-23)6-9-29(10-7-25)24(31)17-11-15(3)22-18(12-17)16(4)27-28-22/h5,8,11-12,14H,6-7,9-10,13H2,1-4H3,(H,27,28)
InChIKeyCJQMOIBIIDORDY-UHFFFAOYSA-N
XLogP4.00
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one (CID 46830214) is 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one is Cc1[nH]nc2c(C)cc(C(=O)N3CCC4(CC3)CC(=O)c3c(ccnc3OC(C)C)O4)cc12.
What is the InChIKey of 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
The InChIKey is CJQMOIBIIDORDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-14(2)32-23-21-19(30)13-25(33-20(21)5-8-26-23)6-9-29(10-7-25)24(31)17-11-15(3)22-18(12-17)16(4)27-28-22/h5,8,11-12,14H,6-7,9-10,13H2,1-4H3,(H,27,28).
What are the key properties of 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one has a molecular weight of 448.52 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one is sourced from PubChem (CID 46830214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).