6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one

C12H11FN4O — CID 114993104

IUPAC6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1NCc1ccn[nH]1
InChIInChI=1S/C12H11FN4O/c13-7-1-2-9-10(5-7)16-12(18)11(9)14-6-8-3-4-15-17-8/h1-5,11,14H,6H2,(H,15,17)(H,16,18)
InChIKeyAQBGPXCMIVCBQK-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.33
Rot. Bonds3

About 6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one

6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one (PubChem CID 114993104) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one
PubChem CID114993104
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1NCc1ccn[nH]1
InChIInChI=1S/C12H11FN4O/c13-7-1-2-9-10(5-7)16-12(18)11(9)14-6-8-3-4-15-17-8/h1-5,11,14H,6H2,(H,15,17)(H,16,18)
InChIKeyAQBGPXCMIVCBQK-UHFFFAOYSA-N
XLogP1.33
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 43204826
6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 16771645
6-fluoro-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one
CID 43206333
6-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124339
5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 43204421
2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide
CID 43567793
N-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine
CID 61286058
6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one
CID 43203494
3-(1H-pyrazol-5-ylmethylamino)pyrrolidine-2,5-dione
CID 61284500
3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one
CID 115000723
6-fluoro-3-(quinolin-8-ylamino)-1,3-dihydroindol-2-one
CID 43823553
6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one
CID 43203891

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one (CID 114993104) is 6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one is O=C1Nc2cc(F)ccc2C1NCc1ccn[nH]1.
What is the InChIKey of 6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one?
The InChIKey is AQBGPXCMIVCBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c13-7-1-2-9-10(5-7)16-12(18)11(9)14-6-8-3-4-15-17-8/h1-5,11,14H,6H2,(H,15,17)(H,16,18).
What are the key properties of 6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one?
6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one has a molecular weight of 246.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 114993104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).