2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one

C37H35N7O4 — CID 145169161

IUPAC2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one
SMILESCCC(=O)c1cc2c3c(ccc2[nH]1)N(C(=O)c1cc2c4c(ccc2[nH]1)N(C)CC4)CC3.NC(=O)N1CCc2c1ccc1[nH]c(C=O)cc21
InChIInChI=1S/C25H24N4O2.C12H11N3O2/c1-3-24(30)20-12-16-15-9-11-29(23(15)7-5-18(16)26-20)25(31)21-13-17-14-8-10-28(2)22(14)6-4-19(17)27-21;13-12(17)15-4-3-8-9-5-7(6-16)14-10(9)1-2-11(8)15/h4-7,12-13,26-27H,3,8-11H2,1-2H3;1-2,5-6,14H,3-4H2,(H2,13,17)
InChIKeyWNVCLAIOSSWZBK-UHFFFAOYSA-N
MW641.73 g/mol
LogP5.86
Rot. Bonds4

About 2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one

2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one (PubChem CID 145169161) has the molecular formula C37H35N7O4 and a molecular weight of 641.73 g/mol. Its IUPAC name is 2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one.

Molecular Properties

Compound Name2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one
PubChem CID145169161
Molecular FormulaC37H35N7O4
Molecular Weight641.73 g/mol
Exact Mass641.28
IUPAC Name2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one
SMILESCCC(=O)c1cc2c3c(ccc2[nH]1)N(C(=O)c1cc2c4c(ccc2[nH]1)N(C)CC4)CC3.NC(=O)N1CCc2c1ccc1[nH]c(C=O)cc21
InChIInChI=1S/C25H24N4O2.C12H11N3O2/c1-3-24(30)20-12-16-15-9-11-29(23(15)7-5-18(16)26-20)25(31)21-13-17-14-8-10-28(2)22(14)6-4-19(17)27-21;13-12(17)15-4-3-8-9-5-7(6-16)14-10(9)1-2-11(8)15/h4-7,12-13,26-27H,3,8-11H2,1-2H3;1-2,5-6,14H,3-4H2,(H2,13,17)
InChIKeyWNVCLAIOSSWZBK-UHFFFAOYSA-N
XLogP5.86
TPSA151.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 55.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one with MolForge

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Related Compounds

(2,3,5,6-tetrafluorophenyl) 6-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 15480265
2-[2-(2-acetyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;[bis[bis(phosphanyl)phosphanyl]-deuteriomethyl]-bis[bis(phosphanyl)phosphanyl]phosphane
CID 90829844
N-[3-(4-amino-N-pentylanilino)propyl]-6-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide
CID 145169160
(2,3,5,6-tetrafluorophenyl) 6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 15480264
N-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)carbamate;1-propoxypropane
CID 54415851
[[6-[6-[6-(2-aminoacetyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]amino]methoxy-methylphosphinic acid
CID 58922260
methyl 6-[6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 10483430
1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone
CID 54141257
2-[2-[(1R,13R)-2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3,5,7,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide
CID 10603752
7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone
CID 175705264
2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one
CID 20681379
1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone
CID 142216813

Frequently Asked Questions

What is the IUPAC name of 2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one?
The IUPAC name of 2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one (CID 145169161) is 2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one.
What is the SMILES notation for 2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one?
The canonical SMILES for 2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one is CCC(=O)c1cc2c3c(ccc2[nH]1)N(C(=O)c1cc2c4c(ccc2[nH]1)N(C)CC4)CC3.NC(=O)N1CCc2c1ccc1[nH]c(C=O)cc21.
What is the InChIKey of 2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one?
The InChIKey is WNVCLAIOSSWZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2.C12H11N3O2/c1-3-24(30)20-12-16-15-9-11-29(23(15)7-5-18(16)26-20)25(31)21-13-17-14-8-10-28(2)22(14)6-4-19(17)27-21;13-12(17)15-4-3-8-9-5-7(6-16)14-10(9)1-2-11(8)15/h4-7,12-13,26-27H,3,8-11H2,1-2H3;1-2,5-6,14H,3-4H2,(H2,13,17).
What are the key properties of 2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one?
2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one has a molecular weight of 641.73 g/mol, XLogP of 5.86, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one is sourced from PubChem (CID 145169161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).