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

C23H23FN4O2 — CID 97361390

IUPAC2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
SMILESCC(C)n1c2ccccc2c2c1cc(C(=O)Nc1ccc(F)cc1)n2C(=O)N(C)C
InChIInChI=1S/C23H23FN4O2/c1-14(2)27-18-8-6-5-7-17(18)21-19(27)13-20(28(21)23(30)26(3)4)22(29)25-16-11-9-15(24)10-12-16/h5-14H,1-4H3,(H,25,29)
InChIKeyYKPAAJSLQKAOTC-UHFFFAOYSA-N
MW406.46 g/mol
LogP5.10
Rot. Bonds3

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

2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide (PubChem CID 97361390) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
PubChem CID97361390
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
SMILESCC(C)n1c2ccccc2c2c1cc(C(=O)Nc1ccc(F)cc1)n2C(=O)N(C)C
InChIInChI=1S/C23H23FN4O2/c1-14(2)27-18-8-6-5-7-17(18)21-19(27)13-20(28(21)23(30)26(3)4)22(29)25-16-11-9-15(24)10-12-16/h5-14H,1-4H3,(H,25,29)
InChIKeyYKPAAJSLQKAOTC-UHFFFAOYSA-N
XLogP5.10
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97361388
2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97441838
N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361332
N-(3-fluorophenyl)-4-propan-2-yl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97407117
N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441908
N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441819
N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361374
3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide
CID 70002976
N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155846697
1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 131659664
N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441936
N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide
CID 97441932

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide (CID 97361390) is 2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide is CC(C)n1c2ccccc2c2c1cc(C(=O)Nc1ccc(F)cc1)n2C(=O)N(C)C.
What is the InChIKey of 2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The InChIKey is YKPAAJSLQKAOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-14(2)27-18-8-6-5-7-17(18)21-19(27)13-20(28(21)23(30)26(3)4)22(29)25-16-11-9-15(24)10-12-16/h5-14H,1-4H3,(H,25,29).
What are the key properties of 2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide has a molecular weight of 406.46 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide is sourced from PubChem (CID 97361390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).