4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide

C24H32N4O5 — CID 91341701

IUPAC4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(C)=O)cc12
InChIInChI=1S/C24H32N4O5/c1-13(2)10-19(23(31)27-18(14(3)29)11-15-8-9-25-22(15)30)28-24(32)20-12-16-17(26-20)6-5-7-21(16)33-4/h5-7,12-13,15,18-19,26H,8-11H2,1-4H3,(H,25,30)(H,27,31)(H,28,32)/t15-,18-,19-/m0/s1
InChIKeyQKZJNDBFJRGTAA-SNRMKQJTSA-N
MW456.54 g/mol
LogP1.92
Rot. Bonds10

About 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide

4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide (PubChem CID 91341701) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide
PubChem CID91341701
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC Name4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(C)=O)cc12
InChIInChI=1S/C24H32N4O5/c1-13(2)10-19(23(31)27-18(14(3)29)11-15-8-9-25-22(15)30)28-24(32)20-12-16-17(26-20)6-5-7-21(16)33-4/h5-7,12-13,15,18-19,26H,8-11H2,1-4H3,(H,25,30)(H,27,31)(H,28,32)/t15-,18-,19-/m0/s1
InChIKeyQKZJNDBFJRGTAA-SNRMKQJTSA-N
XLogP1.92
TPSA129.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide (CID 91341701) is 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(C)=O)cc12.
What is the InChIKey of 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is QKZJNDBFJRGTAA-SNRMKQJTSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-13(2)10-19(23(31)27-18(14(3)29)11-15-8-9-25-22(15)30)28-24(32)20-12-16-17(26-20)6-5-7-21(16)33-4/h5-7,12-13,15,18-19,26H,8-11H2,1-4H3,(H,25,30)(H,27,31)(H,28,32)/t15-,18-,19-/m0/s1.
What are the key properties of 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide?
4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 1.92, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91341701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).