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

C24H26N4O4 — CID 46830213

IUPAC1'-(7-methyl-1H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccnc2OC(C)C)O3)cc2cn[nH]c12
InChIInChI=1S/C24H26N4O4/c1-14(2)31-22-20-18(29)12-24(32-19(20)4-7-25-22)5-8-28(9-6-24)23(30)16-10-15(3)21-17(11-16)13-26-27-21/h4,7,10-11,13-14H,5-6,8-9,12H2,1-3H3,(H,26,27)
InChIKeyIYUFZPWAONKYPV-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.69
Rot. Bonds3

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

1'-(7-methyl-1H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one (PubChem CID 46830213) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1'-(7-methyl-1H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(7-methyl-1H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
PubChem CID46830213
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name1'-(7-methyl-1H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccnc2OC(C)C)O3)cc2cn[nH]c12
InChIInChI=1S/C24H26N4O4/c1-14(2)31-22-20-18(29)12-24(32-19(20)4-7-25-22)5-8-28(9-6-24)23(30)16-10-15(3)21-17(11-16)13-26-27-21/h4,7,10-11,13-14H,5-6,8-9,12H2,1-3H3,(H,26,27)
InChIKeyIYUFZPWAONKYPV-UHFFFAOYSA-N
XLogP3.69
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(7-methyl-1H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(7-methyl-1H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one (CID 46830213) is 1'-(7-methyl-1H-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'-(7-methyl-1H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(7-methyl-1H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one is Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccnc2OC(C)C)O3)cc2cn[nH]c12.
What is the InChIKey of 1'-(7-methyl-1H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
The InChIKey is IYUFZPWAONKYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-14(2)31-22-20-18(29)12-24(32-19(20)4-7-25-22)5-8-28(9-6-24)23(30)16-10-15(3)21-17(11-16)13-26-27-21/h4,7,10-11,13-14H,5-6,8-9,12H2,1-3H3,(H,26,27).
What are the key properties of 1'-(7-methyl-1H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one?
1'-(7-methyl-1H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one has a molecular weight of 434.50 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(7-methyl-1H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one is sourced from PubChem (CID 46830213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).