N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide

C23H21FN4O2 — CID 118607032

IUPACN-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C1CCCc2[nH]c(-c3ccnc(NC(=O)C4CC4)c3)c(Nc3ccc(F)cc3)c21
InChIInChI=1S/C23H21FN4O2/c24-15-6-8-16(9-7-15)26-22-20-17(2-1-3-18(20)29)27-21(22)14-10-11-25-19(12-14)28-23(30)13-4-5-13/h6-13,26-27H,1-5H2,(H,25,28,30)
InChIKeyIHGWFULERXRIIM-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.83
Rot. Bonds5

About N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 118607032) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID118607032
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC NameN-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C1CCCc2[nH]c(-c3ccnc(NC(=O)C4CC4)c3)c(Nc3ccc(F)cc3)c21
InChIInChI=1S/C23H21FN4O2/c24-15-6-8-16(9-7-15)26-22-20-17(2-1-3-18(20)29)27-21(22)14-10-11-25-19(12-14)28-23(30)13-4-5-13/h6-13,26-27H,1-5H2,(H,25,28,30)
InChIKeyIHGWFULERXRIIM-UHFFFAOYSA-N
XLogP4.83
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 118607092
cis-(1R,2R)-N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 118607079
[4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid
CID 118607107
1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea
CID 118607242
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]but-3-ynamide
CID 118606713
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 118606753
3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one
CID 118607277
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-thiophen-3-ylacetamide
CID 118607305
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1H-pyrrol-3-yl)acetamide
CID 118607404
N-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide
CID 129246571
cis-(1S,2S)-N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 118613218
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide
CID 118606720

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 118607032) is N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide is O=C1CCCc2[nH]c(-c3ccnc(NC(=O)C4CC4)c3)c(Nc3ccc(F)cc3)c21.
What is the InChIKey of N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is IHGWFULERXRIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-15-6-8-16(9-7-15)26-22-20-17(2-1-3-18(20)29)27-21(22)14-10-11-25-19(12-14)28-23(30)13-4-5-13/h6-13,26-27H,1-5H2,(H,25,28,30).
What are the key properties of N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 404.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 118607032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).