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

C20H17FN4O3 — CID 118607107

IUPAC[4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cc(-c2[nH]c3c(c2Nc2cccc(F)c2)C(=O)CCC3)ccn1
InChIInChI=1S/C20H17FN4O3/c21-12-3-1-4-13(10-12)23-19-17-14(5-2-6-15(17)26)24-18(19)11-7-8-22-16(9-11)25-20(27)28/h1,3-4,7-10,23-24H,2,5-6H2,(H,22,25)(H,27,28)
InChIKeyYHFLTUVIDWVLIZ-UHFFFAOYSA-N
MW380.38 g/mol
LogP4.57
Rot. Bonds4

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

[4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid (PubChem CID 118607107) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is [4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid
PubChem CID118607107
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name[4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cc(-c2[nH]c3c(c2Nc2cccc(F)c2)C(=O)CCC3)ccn1
InChIInChI=1S/C20H17FN4O3/c21-12-3-1-4-13(10-12)23-19-17-14(5-2-6-15(17)26)24-18(19)11-7-8-22-16(9-11)25-20(27)28/h1,3-4,7-10,23-24H,2,5-6H2,(H,22,25)(H,27,28)
InChIKeyYHFLTUVIDWVLIZ-UHFFFAOYSA-N
XLogP4.57
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 54.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 118607032
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]but-3-ynamide
CID 118606713
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]-2-methylsulfanylacetamide
CID 118606753
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-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1-methylimidazol-2-yl)acetamide
CID 118606720
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]acetamide
CID 118607114
3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one
CID 118607277
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

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid?
The IUPAC name of [4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid (CID 118607107) is [4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid is O=C(O)Nc1cc(-c2[nH]c3c(c2Nc2cccc(F)c2)C(=O)CCC3)ccn1.
What is the InChIKey of [4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid?
The InChIKey is YHFLTUVIDWVLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c21-12-3-1-4-13(10-12)23-19-17-14(5-2-6-15(17)26)24-18(19)11-7-8-22-16(9-11)25-20(27)28/h1,3-4,7-10,23-24H,2,5-6H2,(H,22,25)(H,27,28).
What are the key properties of [4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid?
[4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid has a molecular weight of 380.38 g/mol, XLogP of 4.57, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 118607107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).