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

C24H24F2N4O2 — CID 97361388

IUPAC2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
SMILESCC(C)n1c2ccccc2c2c1cc(C(=O)NCc1ccc(F)c(F)c1)n2C(=O)N(C)C
InChIInChI=1S/C24H24F2N4O2/c1-14(2)29-19-8-6-5-7-16(19)22-20(29)12-21(30(22)24(32)28(3)4)23(31)27-13-15-9-10-17(25)18(26)11-15/h5-12,14H,13H2,1-4H3,(H,27,31)
InChIKeyVRVLWWQUDBKWQP-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.91
Rot. Bonds4

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

2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide (PubChem CID 97361388) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
PubChem CID97361388
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
SMILESCC(C)n1c2ccccc2c2c1cc(C(=O)NCc1ccc(F)c(F)c1)n2C(=O)N(C)C
InChIInChI=1S/C24H24F2N4O2/c1-14(2)29-19-8-6-5-7-16(19)22-20(29)12-21(30(22)24(32)28(3)4)23(31)27-13-15-9-10-17(25)18(26)11-15/h5-12,14H,13H2,1-4H3,(H,27,31)
InChIKeyVRVLWWQUDBKWQP-UHFFFAOYSA-N
XLogP4.91
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97361407
2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97361390
1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 134079752
1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97441822
N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361374
N-[2-(dimethylamino)ethyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155855918
N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441908
4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441976
N-[(3,4-difluorophenyl)methyl]-2-methyl-1-oxoisoquinoline-3-carboxamide
CID 136541810
4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97442031
N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
CID 110781029
4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850403

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The IUPAC name of 2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide (CID 97361388) is 2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide is CC(C)n1c2ccccc2c2c1cc(C(=O)NCc1ccc(F)c(F)c1)n2C(=O)N(C)C.
What is the InChIKey of 2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The InChIKey is VRVLWWQUDBKWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c1-14(2)29-19-8-6-5-7-16(19)22-20(29)12-21(30(22)24(32)28(3)4)23(31)27-13-15-9-10-17(25)18(26)11-15/h5-12,14H,13H2,1-4H3,(H,27,31).
What are the key properties of 2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide has a molecular weight of 438.48 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide is sourced from PubChem (CID 97361388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).