6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-3-carboxamide

C24H27N5O3 — CID 70674924

IUPAC6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-3-carboxamide
SMILESCC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4c(C(N)=O)c[nH]c4c3)CC1)C2
InChIInChI=1S/C24H27N5O3/c1-14(2)29-21-16(12-27-29)10-24(11-20(21)30)5-7-28(8-6-24)23(32)15-3-4-17-18(22(25)31)13-26-19(17)9-15/h3-4,9,12-14,26H,5-8,10-11H2,1-2H3,(H2,25,31)
InChIKeyYJNHYOHEAMKMFI-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.10
Rot. Bonds3

About 6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-3-carboxamide

6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-3-carboxamide (PubChem CID 70674924) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-3-carboxamide
PubChem CID70674924
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-3-carboxamide
SMILESCC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4c(C(N)=O)c[nH]c4c3)CC1)C2
InChIInChI=1S/C24H27N5O3/c1-14(2)29-21-16(12-27-29)10-24(11-20(21)30)5-7-28(8-6-24)23(32)15-3-4-17-18(22(25)31)13-26-19(17)9-15/h3-4,9,12-14,26H,5-8,10-11H2,1-2H3,(H2,25,31)
InChIKeyYJNHYOHEAMKMFI-UHFFFAOYSA-N
XLogP3.10
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-3-carboxamide (CID 70674924) is 6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-3-carboxamide is CC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4c(C(N)=O)c[nH]c4c3)CC1)C2.
What is the InChIKey of 6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-3-carboxamide?
The InChIKey is YJNHYOHEAMKMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-14(2)29-21-16(12-27-29)10-24(11-20(21)30)5-7-28(8-6-24)23(32)15-3-4-17-18(22(25)31)13-26-19(17)9-15/h3-4,9,12-14,26H,5-8,10-11H2,1-2H3,(H2,25,31).
What are the key properties of 6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-3-carboxamide?
6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 70674924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).