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

C24H28N6O3 — CID 70675046

IUPACN-methyl-5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2ccc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc12
InChIInChI=1S/C24H28N6O3/c1-14(2)30-21-16(13-26-30)11-24(12-19(21)31)6-8-29(9-7-24)23(33)15-4-5-18-17(10-15)20(28-27-18)22(32)25-3/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,32)(H,27,28)
InChIKeyUJDBGGCMYPZDGV-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.75
Rot. Bonds3

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

N-methyl-5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide (PubChem CID 70675046) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-methyl-5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide
PubChem CID70675046
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-methyl-5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2ccc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc12
InChIInChI=1S/C24H28N6O3/c1-14(2)30-21-16(13-26-30)11-24(12-19(21)31)6-8-29(9-7-24)23(33)15-4-5-18-17(10-15)20(28-27-18)22(32)25-3/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,32)(H,27,28)
InChIKeyUJDBGGCMYPZDGV-UHFFFAOYSA-N
XLogP2.75
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-methyl-5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide (CID 70675046) is N-methyl-5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-methyl-5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide is CNC(=O)c1n[nH]c2ccc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc12.
What is the InChIKey of N-methyl-5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide?
The InChIKey is UJDBGGCMYPZDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-14(2)30-21-16(13-26-30)11-24(12-19(21)31)6-8-29(9-7-24)23(33)15-4-5-18-17(10-15)20(28-27-18)22(32)25-3/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,32)(H,27,28).
What are the key properties of N-methyl-5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide?
N-methyl-5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 70675046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).