[5-methyl-1'-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-phenoxyphenyl)methanone

C35H31N5O3 — CID 171684023

IUPAC[5-methyl-1'-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-phenoxyphenyl)methanone
SMILESCc1ccc2c(c1)C1(CCN(C(=O)c3cnn(-c4cccnc4)c3)CC1)CN2C(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C35H31N5O3/c1-25-13-14-31-30(20-25)35(24-39(31)34(42)29-11-5-6-12-32(29)43-28-9-3-2-4-10-28)15-18-38(19-16-35)33(41)26-21-37-40(23-26)27-8-7-17-36-22-27/h2-14,17,20-23H,15-16,18-19,24H2,1H3
InChIKeyDIHIMLBSQSRJKI-UHFFFAOYSA-N
MW569.67 g/mol
LogP6.20
Rot. Bonds5

About [5-methyl-1'-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-phenoxyphenyl)methanone

[5-methyl-1'-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-phenoxyphenyl)methanone (PubChem CID 171684023) has the molecular formula C35H31N5O3 and a molecular weight of 569.67 g/mol. Its IUPAC name is [5-methyl-1'-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[5-methyl-1'-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-phenoxyphenyl)methanone
PubChem CID171684023
Molecular FormulaC35H31N5O3
Molecular Weight569.67 g/mol
Exact Mass569.24
IUPAC Name[5-methyl-1'-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-phenoxyphenyl)methanone
SMILESCc1ccc2c(c1)C1(CCN(C(=O)c3cnn(-c4cccnc4)c3)CC1)CN2C(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C35H31N5O3/c1-25-13-14-31-30(20-25)35(24-39(31)34(42)29-11-5-6-12-32(29)43-28-9-3-2-4-10-28)15-18-38(19-16-35)33(41)26-21-37-40(23-26)27-8-7-17-36-22-27/h2-14,17,20-23H,15-16,18-19,24H2,1H3
InChIKeyDIHIMLBSQSRJKI-UHFFFAOYSA-N
XLogP6.20
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.67
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3,4,5-trichlorophenyl)methanone
CID 171681503
[5-methyl-1-(3-pyridin-4-ylimidazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-[4-(2-phenylethynyl)phenyl]methanone
CID 171684278
(3,4-dimethoxyphenyl)-[5-methyl-1-[2-methyl-3-(trifluoromethyl)benzoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]methanone
CID 171684810
[5-fluoro-1-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone
CID 171684597
(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 46546142
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
(2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 175091556
(2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370965
[1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 171683969
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9069026
[5-fluoro-1'-(3-fluoro-2-nitrobenzoyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluoro-2-methylphenyl)methanone
CID 171684331
(1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024013

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1'-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-phenoxyphenyl)methanone?
The IUPAC name of [5-methyl-1'-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-phenoxyphenyl)methanone (CID 171684023) is [5-methyl-1'-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-phenoxyphenyl)methanone.
What is the SMILES notation for [5-methyl-1'-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-phenoxyphenyl)methanone?
The canonical SMILES for [5-methyl-1'-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-phenoxyphenyl)methanone is Cc1ccc2c(c1)C1(CCN(C(=O)c3cnn(-c4cccnc4)c3)CC1)CN2C(=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of [5-methyl-1'-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-phenoxyphenyl)methanone?
The InChIKey is DIHIMLBSQSRJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N5O3/c1-25-13-14-31-30(20-25)35(24-39(31)34(42)29-11-5-6-12-32(29)43-28-9-3-2-4-10-28)15-18-38(19-16-35)33(41)26-21-37-40(23-26)27-8-7-17-36-22-27/h2-14,17,20-23H,15-16,18-19,24H2,1H3.
What are the key properties of [5-methyl-1'-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-phenoxyphenyl)methanone?
[5-methyl-1'-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-phenoxyphenyl)methanone has a molecular weight of 569.67 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1'-(1-pyridin-3-ylpyrazole-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 171684023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).