5-methyl-1-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione

C32H29N5O3 — CID 46179076

IUPAC5-methyl-1-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)C(C)(c2ccccc2)C1=O
InChIInChI=1S/C32H29N5O3/c1-19(2)37-29(39)31(3,24-8-5-4-6-9-24)36(30(37)40)18-20-12-21-13-22-15-32(16-23(22)14-26(21)34-17-20)25-10-7-11-33-27(25)35-28(32)38/h4-14,17,19H,15-16,18H2,1-3H3,(H,33,35,38)/t31?,32-/m0/s1
InChIKeyMPLXWSJVOSISNE-JYUUXGOASA-N
MW531.62 g/mol
LogP4.71
Rot. Bonds4

About 5-methyl-1-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione

5-methyl-1-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione (PubChem CID 46179076) has the molecular formula C32H29N5O3 and a molecular weight of 531.62 g/mol. Its IUPAC name is 5-methyl-1-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione
PubChem CID46179076
Molecular FormulaC32H29N5O3
Molecular Weight531.62 g/mol
Exact Mass531.23
IUPAC Name5-methyl-1-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)C(C)(c2ccccc2)C1=O
InChIInChI=1S/C32H29N5O3/c1-19(2)37-29(39)31(3,24-8-5-4-6-9-24)36(30(37)40)18-20-12-21-13-22-15-32(16-23(22)14-26(21)34-17-20)25-10-7-11-33-27(25)35-28(32)38/h4-14,17,19H,15-16,18H2,1-3H3,(H,33,35,38)/t31?,32-/m0/s1
InChIKeyMPLXWSJVOSISNE-JYUUXGOASA-N
XLogP4.71
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.62
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-1-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione (CID 46179076) is 5-methyl-1-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione is CC(C)N1C(=O)N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)C(C)(c2ccccc2)C1=O.
What is the InChIKey of 5-methyl-1-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is MPLXWSJVOSISNE-JYUUXGOASA-N. The full InChI is InChI=1S/C32H29N5O3/c1-19(2)37-29(39)31(3,24-8-5-4-6-9-24)36(30(37)40)18-20-12-21-13-22-15-32(16-23(22)14-26(21)34-17-20)25-10-7-11-33-27(25)35-28(32)38/h4-14,17,19H,15-16,18H2,1-3H3,(H,33,35,38)/t31?,32-/m0/s1.
What are the key properties of 5-methyl-1-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione?
5-methyl-1-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 531.62 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-yl]methyl]-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 46179076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).