5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one

C26H30ClN5O3 — CID 168997067

IUPAC5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCc1nc2cc(OCCN3CCC4(CC3)C(=O)Nc3ccc(Cl)cc34)cnc2n1C1CC(C)(O)C1
InChIInChI=1S/C26H30ClN5O3/c1-16-29-22-12-19(15-28-23(22)32(16)18-13-25(2,34)14-18)35-10-9-31-7-5-26(6-8-31)20-11-17(27)3-4-21(20)30-24(26)33/h3-4,11-12,15,18,34H,5-10,13-14H2,1-2H3,(H,30,33)
InChIKeyDLYPRGBRLUTJBF-UHFFFAOYSA-N
MW496.01 g/mol
LogP3.84
Rot. Bonds5

About 5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one

5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 168997067) has the molecular formula C26H30ClN5O3 and a molecular weight of 496.01 g/mol. Its IUPAC name is 5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID168997067
Molecular FormulaC26H30ClN5O3
Molecular Weight496.01 g/mol
Exact Mass495.20
IUPAC Name5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCc1nc2cc(OCCN3CCC4(CC3)C(=O)Nc3ccc(Cl)cc34)cnc2n1C1CC(C)(O)C1
InChIInChI=1S/C26H30ClN5O3/c1-16-29-22-12-19(15-28-23(22)32(16)18-13-25(2,34)14-18)35-10-9-31-7-5-26(6-8-31)20-11-17(27)3-4-21(20)30-24(26)33/h3-4,11-12,15,18,34H,5-10,13-14H2,1-2H3,(H,30,33)
InChIKeyDLYPRGBRLUTJBF-UHFFFAOYSA-N
XLogP3.84
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.01
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 168997067) is 5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one is Cc1nc2cc(OCCN3CCC4(CC3)C(=O)Nc3ccc(Cl)cc34)cnc2n1C1CC(C)(O)C1.
What is the InChIKey of 5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is DLYPRGBRLUTJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O3/c1-16-29-22-12-19(15-28-23(22)32(16)18-13-25(2,34)14-18)35-10-9-31-7-5-26(6-8-31)20-11-17(27)3-4-21(20)30-24(26)33/h3-4,11-12,15,18,34H,5-10,13-14H2,1-2H3,(H,30,33).
What are the key properties of 5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 496.01 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 168997067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).