N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide

C23H24FN3O2 — CID 97361332

IUPACN-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCOCCn1c(C(=O)Nc2cccc(F)c2)cc2c1c1ccccc1n2C(C)C
InChIInChI=1S/C23H24FN3O2/c1-15(2)27-19-10-5-4-9-18(19)22-20(27)14-21(26(22)11-12-29-3)23(28)25-17-8-6-7-16(24)13-17/h4-10,13-15H,11-12H2,1-3H3,(H,25,28)
InChIKeyZUWUERXRPJDMRL-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.21
Rot. Bonds6

About N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide

N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97361332) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97361332
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC NameN-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCOCCn1c(C(=O)Nc2cccc(F)c2)cc2c1c1ccccc1n2C(C)C
InChIInChI=1S/C23H24FN3O2/c1-15(2)27-19-10-5-4-9-18(19)22-20(27)14-21(26(22)11-12-29-3)23(28)25-17-8-6-7-16(24)13-17/h4-10,13-15H,11-12H2,1-3H3,(H,25,28)
InChIKeyZUWUERXRPJDMRL-UHFFFAOYSA-N
XLogP5.21
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid
CID 124544362
N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97407117
[1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone
CID 97361353
2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97361390
N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441819
[1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155850470
4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225121
N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361374
N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide
CID 71701813
9-(2-methoxyethyl)-N-(3-methoxyphenyl)carbazole-2-carboxamide
CID 90731870
N-(3-fluorophenyl)-2-[[3-(2-methoxyethyl)-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 20882378
N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide
CID 71702187

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide (CID 97361332) is N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide is COCCn1c(C(=O)Nc2cccc(F)c2)cc2c1c1ccccc1n2C(C)C.
What is the InChIKey of N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is ZUWUERXRPJDMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-15(2)27-19-10-5-4-9-18(19)22-20(27)14-21(26(22)11-12-29-3)23(28)25-17-8-6-7-16(24)13-17/h4-10,13-15H,11-12H2,1-3H3,(H,25,28).
What are the key properties of N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97361332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).