N-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide

C26H20FN5O2 — CID 67113599

IUPACN-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(NC(=O)c3ccc4[nH]ccc4c3)cc2F)cc1)c1cc[nH]c1
InChIInChI=1S/C26H20FN5O2/c27-22-14-21(32-25(33)17-1-7-23-16(13-17)10-12-29-23)6-8-24(22)30-19-2-4-20(5-3-19)31-26(34)18-9-11-28-15-18/h1-15,28-30H,(H,31,34)(H,32,33)
InChIKeyMGNLAMFPIOKZCG-UHFFFAOYSA-N
MW453.48 g/mol
LogP5.88
Rot. Bonds6

About N-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide

N-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide (PubChem CID 67113599) has the molecular formula C26H20FN5O2 and a molecular weight of 453.48 g/mol. Its IUPAC name is N-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide
PubChem CID67113599
Molecular FormulaC26H20FN5O2
Molecular Weight453.48 g/mol
Exact Mass453.16
IUPAC NameN-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(NC(=O)c3ccc4[nH]ccc4c3)cc2F)cc1)c1cc[nH]c1
InChIInChI=1S/C26H20FN5O2/c27-22-14-21(32-25(33)17-1-7-23-16(13-17)10-12-29-23)6-8-24(22)30-19-2-4-20(5-3-19)31-26(34)18-9-11-28-15-18/h1-15,28-30H,(H,31,34)(H,32,33)
InChIKeyMGNLAMFPIOKZCG-UHFFFAOYSA-N
XLogP5.88
TPSA101.81 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.48
LogP ≤ 55.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780
N-[3-fluoro-4-[2-fluoro-4-(methylamino)anilino]phenyl]-1H-pyrrole-3-carboxamide
CID 139398477
N-[3-fluoro-4-[2-fluoro-4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-pyrrole-3-carboxamide
CID 67112864
N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide
CID 114840582
N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691221
N-(1H-indol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61250452
N-[3-chloro-4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-indole-5-carboxamide
CID 67113306
N-(4-fluoro-2-iodophenyl)-1H-indole-5-carboxamide
CID 79766806
N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide
CID 60971449
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182
3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid
CID 75495645
N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691150

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide (CID 67113599) is N-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide is O=C(Nc1ccc(Nc2ccc(NC(=O)c3ccc4[nH]ccc4c3)cc2F)cc1)c1cc[nH]c1.
What is the InChIKey of N-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide?
The InChIKey is MGNLAMFPIOKZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O2/c27-22-14-21(32-25(33)17-1-7-23-16(13-17)10-12-29-23)6-8-24(22)30-19-2-4-20(5-3-19)31-26(34)18-9-11-28-15-18/h1-15,28-30H,(H,31,34)(H,32,33).
What are the key properties of N-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide?
N-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide has a molecular weight of 453.48 g/mol, XLogP of 5.88, 6 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 67113599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).