N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide

C22H15F2N5O — CID 97385191

IUPACN-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCn1c2ccccc2c2c1cc(C(=O)Nc1ccc(F)cc1F)n2-c1ncccn1
InChIInChI=1S/C22H15F2N5O/c1-28-17-6-3-2-5-14(17)20-18(28)12-19(29(20)22-25-9-4-10-26-22)21(30)27-16-8-7-13(23)11-15(16)24/h2-12H,1H3,(H,27,30)
InChIKeyJKUDAGPBLVKOOX-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.44
Rot. Bonds3

About N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide

N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97385191) has the molecular formula C22H15F2N5O and a molecular weight of 403.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97385191
Molecular FormulaC22H15F2N5O
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC NameN-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCn1c2ccccc2c2c1cc(C(=O)Nc1ccc(F)cc1F)n2-c1ncccn1
InChIInChI=1S/C22H15F2N5O/c1-28-17-6-3-2-5-14(17)20-18(28)12-19(29(20)22-25-9-4-10-26-22)21(30)27-16-8-7-13(23)11-15(16)24/h2-12H,1H3,(H,27,30)
InChIKeyJKUDAGPBLVKOOX-UHFFFAOYSA-N
XLogP4.44
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441858
N-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 110863637
N-(2-fluorophenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865243
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
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N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide
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N-(2,4-difluorophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619538
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CID 23937514
N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
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CID 2819487
(2R)-N-(2,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9445502
N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174623

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (CID 97385191) is N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is Cn1c2ccccc2c2c1cc(C(=O)Nc1ccc(F)cc1F)n2-c1ncccn1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is JKUDAGPBLVKOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O/c1-28-17-6-3-2-5-14(17)20-18(28)12-19(29(20)22-25-9-4-10-26-22)21(30)27-16-8-7-13(23)11-15(16)24/h2-12H,1H3,(H,27,30).
What are the key properties of N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97385191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).