N-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide

C23H27N3O4 — CID 143900816

IUPACN-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide
SMILESCC1CN(C(=O)[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C2CCCC2)[C@@H]2C(=O)CO[C@H]12
InChIInChI=1S/C23H27N3O4/c1-13-11-26(20-18(27)12-30-21(13)20)23(29)19(15-4-2-3-5-15)25-22(28)16-7-6-14-8-9-24-17(14)10-16/h6-10,13,15,19-21,24H,2-5,11-12H2,1H3,(H,25,28)/t13?,19-,20+,21+/m0/s1
InChIKeyQFZDKUXDSZJXDC-DHAXOAARSA-N
MW409.49 g/mol
LogP2.27
Rot. Bonds4

About N-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide

N-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide (PubChem CID 143900816) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide
PubChem CID143900816
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide
SMILESCC1CN(C(=O)[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C2CCCC2)[C@@H]2C(=O)CO[C@H]12
InChIInChI=1S/C23H27N3O4/c1-13-11-26(20-18(27)12-30-21(13)20)23(29)19(15-4-2-3-5-15)25-22(28)16-7-6-14-8-9-24-17(14)10-16/h6-10,13,15,19-21,24H,2-5,11-12H2,1H3,(H,25,28)/t13?,19-,20+,21+/m0/s1
InChIKeyQFZDKUXDSZJXDC-DHAXOAARSA-N
XLogP2.27
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide with MolForge

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Related Compounds

N-[(1S)-2-[(3aS,6S,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 44539600
N-[(1S)-2-[(3aS,6R,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 44539316
N-[(1S)-2-[(3aS,6R,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 44539219
N-[(1S)-2-[(3aS,6S,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
CID 67048934
N-[(1S)-2-[(3aS,6R,6aR)-6-cyclopropyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 67048474
N-[(1S)-2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 163471754
N-[(1S)-2-[(3aS,6R,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 68511510
N-[(1S)-2-[(3aS,6R,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-(4-methylcyclohexyl)-2-oxoethyl]benzamide
CID 140677222
N-[(1S)-2-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 68509414
N-[(1S)-2-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 24965610
N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]pyridine-3-carboxamide;sulfane
CID 158749567
N-[(1S)-2-[(3aS,6R,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide
CID 68512123

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide (CID 143900816) is N-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide is CC1CN(C(=O)[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C2CCCC2)[C@@H]2C(=O)CO[C@H]12.
What is the InChIKey of N-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide?
The InChIKey is QFZDKUXDSZJXDC-DHAXOAARSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-13-11-26(20-18(27)12-30-21(13)20)23(29)19(15-4-2-3-5-15)25-22(28)16-7-6-14-8-9-24-17(14)10-16/h6-10,13,15,19-21,24H,2-5,11-12H2,1H3,(H,25,28)/t13?,19-,20+,21+/m0/s1.
What are the key properties of N-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide?
N-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[(3aS,6aR)-6-methyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 143900816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).