5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide

C27H32N6O3 — CID 70674017

IUPAC5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide
SMILESCC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3ccc4[nH]nc(C(=O)NC5CC5)c4c3)CC1)C2
InChIInChI=1S/C27H32N6O3/c1-26(2,3)33-15-17-13-27(14-21(34)22(17)31-33)8-10-32(11-9-27)25(36)16-4-7-20-19(12-16)23(30-29-20)24(35)28-18-5-6-18/h4,7,12,15,18H,5-6,8-11,13-14H2,1-3H3,(H,28,35)(H,29,30)
InChIKeyKZZHMJOELUNLNX-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.46
Rot. Bonds3

About 5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide

5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide (PubChem CID 70674017) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide
PubChem CID70674017
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide
SMILESCC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3ccc4[nH]nc(C(=O)NC5CC5)c4c3)CC1)C2
InChIInChI=1S/C27H32N6O3/c1-26(2,3)33-15-17-13-27(14-21(34)22(17)31-33)8-10-32(11-9-27)25(36)16-4-7-20-19(12-16)23(30-29-20)24(35)28-18-5-6-18/h4,7,12,15,18H,5-6,8-11,13-14H2,1-3H3,(H,28,35)(H,29,30)
InChIKeyKZZHMJOELUNLNX-UHFFFAOYSA-N
XLogP3.46
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide (CID 70674017) is 5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide is CC(C)(C)n1cc2c(n1)C(=O)CC1(CCN(C(=O)c3ccc4[nH]nc(C(=O)NC5CC5)c4c3)CC1)C2.
What is the InChIKey of 5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide?
The InChIKey is KZZHMJOELUNLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-26(2,3)33-15-17-13-27(14-21(34)22(17)31-33)8-10-32(11-9-27)25(36)16-4-7-20-19(12-16)23(30-29-20)24(35)28-18-5-6-18/h4,7,12,15,18H,5-6,8-11,13-14H2,1-3H3,(H,28,35)(H,29,30).
What are the key properties of 5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide?
5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 70674017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).