(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

C19H17FN4O — CID 56822202

IUPAC(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESCCc1c(C(=O)N2CCc3ccc(F)cc32)cnn1-c1ccccn1
InChIInChI=1S/C19H17FN4O/c1-2-16-15(12-22-24(16)18-5-3-4-9-21-18)19(25)23-10-8-13-6-7-14(20)11-17(13)23/h3-7,9,11-12H,2,8,10H2,1H3
InChIKeyDULOVRNXGWAIFJ-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.17
Rot. Bonds3

About (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 56822202) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID56822202
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESCCc1c(C(=O)N2CCc3ccc(F)cc32)cnn1-c1ccccn1
InChIInChI=1S/C19H17FN4O/c1-2-16-15(12-22-24(16)18-5-3-4-9-21-18)19(25)23-10-8-13-6-7-14(20)11-17(13)23/h3-7,9,11-12H,2,8,10H2,1H3
InChIKeyDULOVRNXGWAIFJ-UHFFFAOYSA-N
XLogP3.17
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (CID 56822202) is (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is CCc1c(C(=O)N2CCc3ccc(F)cc32)cnn1-c1ccccn1.
What is the InChIKey of (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is DULOVRNXGWAIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-2-16-15(12-22-24(16)18-5-3-4-9-21-18)19(25)23-10-8-13-6-7-14(20)11-17(13)23/h3-7,9,11-12H,2,8,10H2,1H3.
What are the key properties of (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 336.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 56822202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).