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

C31H31N7O3 — CID 143954572

IUPAC2-[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
SMILESCc1nc(NCC(C)C)c(=O)n(CC(=O)Nc2cnc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c1-c1ccccc1
InChIInChI=1S/C31H31N7O3/c1-18(2)15-34-28-29(40)38(26(19(3)35-28)20-8-5-4-6-9-20)17-25(39)36-22-12-21-13-31(14-24(21)33-16-22)23-10-7-11-32-27(23)37-30(31)41/h4-12,16,18H,13-15,17H2,1-3H3,(H,34,35)(H,36,39)(H,32,37,41)
InChIKeyOPORXCABOATFSZ-UHFFFAOYSA-N
MW549.64 g/mol
LogP3.70
Rot. Bonds7

About 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

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 (PubChem CID 143954572) has the molecular formula C31H31N7O3 and a molecular weight of 549.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID143954572
Molecular FormulaC31H31N7O3
Molecular Weight549.64 g/mol
Exact Mass549.25
IUPAC Name2-[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
SMILESCc1nc(NCC(C)C)c(=O)n(CC(=O)Nc2cnc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c1-c1ccccc1
InChIInChI=1S/C31H31N7O3/c1-18(2)15-34-28-29(40)38(26(19(3)35-28)20-8-5-4-6-9-20)17-25(39)36-22-12-21-13-31(14-24(21)33-16-22)23-10-7-11-32-27(23)37-30(31)41/h4-12,16,18H,13-15,17H2,1-3H3,(H,34,35)(H,36,39)(H,32,37,41)
InChIKeyOPORXCABOATFSZ-UHFFFAOYSA-N
XLogP3.70
TPSA130.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.64
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
(3S)-3'-(hydroxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 90064620
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
(3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 66864917
(3S)-3'-iodospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 58118681
2-[(5S)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 11712166
methyl-[[2-[[[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]amino]methyl]phenyl]methyl]carbamic acid
CID 146571919
[(Z)-but-2-en-2-yl] (3R)-3-(3,5-difluorophenyl)-5-oxo-4-[2-oxo-2-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)amino]ethyl]-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate
CID 173477162
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-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 11533571
2-[(6R)-6-(4-fluorophenyl)-3,3-bis(hydroxymethyl)-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 147392286

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(NCC(C)C)c(=O)n(CC(=O)Nc2cnc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is OPORXCABOATFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N7O3/c1-18(2)15-34-28-29(40)38(26(19(3)35-28)20-8-5-4-6-9-20)17-25(39)36-22-12-21-13-31(14-24(21)33-16-22)23-10-7-11-32-27(23)37-30(31)41/h4-12,16,18H,13-15,17H2,1-3H3,(H,34,35)(H,36,39)(H,32,37,41).
What are the key properties of 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?
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 has a molecular weight of 549.64 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143954572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).