2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide

C31H29ClN6O3 — CID 46847492

IUPAC2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2Cl)=NC12CCCCCC2)Nc1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C31H29ClN6O3/c32-23-10-4-3-8-21(23)26-28(40)38(31(37-26)11-5-1-2-6-12-31)18-25(39)35-20-14-19-15-30(16-24(19)34-17-20)22-9-7-13-33-27(22)36-29(30)41/h3-4,7-10,13-14,17H,1-2,5-6,11-12,15-16,18H2,(H,35,39)(H,33,36,41)/t30-/m0/s1
InChIKeyPUXWTQCSBXHBDB-PMERELPUSA-N
MW569.07 g/mol
LogP4.44
Rot. Bonds4

About 2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide

2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide (PubChem CID 46847492) has the molecular formula C31H29ClN6O3 and a molecular weight of 569.07 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide
PubChem CID46847492
Molecular FormulaC31H29ClN6O3
Molecular Weight569.07 g/mol
Exact Mass568.20
IUPAC Name2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2Cl)=NC12CCCCCC2)Nc1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C31H29ClN6O3/c32-23-10-4-3-8-21(23)26-28(40)38(31(37-26)11-5-1-2-6-12-31)18-25(39)35-20-14-19-15-30(16-24(19)34-17-20)22-9-7-13-33-27(22)36-29(30)41/h3-4,7-10,13-14,17H,1-2,5-6,11-12,15-16,18H2,(H,35,39)(H,33,36,41)/t30-/m0/s1
InChIKeyPUXWTQCSBXHBDB-PMERELPUSA-N
XLogP4.44
TPSA116.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.07
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide with MolForge

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Related Compounds

2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 58553946
3'-[3-[2-(2-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 58553922
2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 46846575
2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl]acetamide
CID 46846995
2-[(8S)-8-(3,5-difluorophenyl)-6-methylidene-7-azaspiro[4.5]decan-7-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)acetamide;hydrate
CID 157307503
3'-[(E)-3-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 58553940
2-[2-(2-methylphenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 58553877
2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 25173078
2-[5-methyl-3-(2-methylpropylamino)-2-oxo-6-phenylpyrazin-1-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)acetamide
CID 143954572
(3S)-3'-(hydroxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 90064620
3'-[3-(2-tert-butyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 90952949
2-[3-(3,5-difluorophenyl)-1,3-dimethyl-5-oxo-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 75586310

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide (CID 46847492) is 2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide is O=C(CN1C(=O)C(c2ccccc2Cl)=NC12CCCCCC2)Nc1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of 2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide?
The InChIKey is PUXWTQCSBXHBDB-PMERELPUSA-N. The full InChI is InChI=1S/C31H29ClN6O3/c32-23-10-4-3-8-21(23)26-28(40)38(31(37-26)11-5-1-2-6-12-31)18-25(39)35-20-14-19-15-30(16-24(19)34-17-20)22-9-7-13-33-27(22)36-29(30)41/h3-4,7-10,13-14,17H,1-2,5-6,11-12,15-16,18H2,(H,35,39)(H,33,36,41)/t30-/m0/s1.
What are the key properties of 2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide?
2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide has a molecular weight of 569.07 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide is sourced from PubChem (CID 46847492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).