(4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

C12H11FN4O — CID 103493823

IUPAC(4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESNc1cn[nH]c1C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C12H11FN4O/c13-8-2-1-7-3-4-17(10(7)5-8)12(18)11-9(14)6-15-16-11/h1-2,5-6H,3-4,14H2,(H,15,16)
InChIKeyMWXJVCBZVMQZER-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.33
Rot. Bonds1

About (4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

(4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 103493823) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is (4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID103493823
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name(4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESNc1cn[nH]c1C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C12H11FN4O/c13-8-2-1-7-3-4-17(10(7)5-8)12(18)11-9(14)6-15-16-11/h1-2,5-6H,3-4,14H2,(H,15,16)
InChIKeyMWXJVCBZVMQZER-UHFFFAOYSA-N
XLogP1.33
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502191
(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493821
(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502157
(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103718991
(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493768
(4-chloro-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103872831
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
(3-chloro-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103714816
2,3-dihydro-1H-indol-6-yl-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495318
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
(5-bromofuran-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 113228436

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (CID 103493823) is (4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is Nc1cn[nH]c1C(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of (4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is MWXJVCBZVMQZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c13-8-2-1-7-3-4-17(10(7)5-8)12(18)11-9(14)6-15-16-11/h1-2,5-6H,3-4,14H2,(H,15,16).
What are the key properties of (4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
(4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 246.25 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 103493823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).