5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one

C14H15ClN4O2 — CID 81336761

IUPAC5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(Oc3cc(C)[nH]n3)c(Cl)cc21
InChIInChI=1S/C14H15ClN4O2/c1-3-16-13-8-5-9(15)11(6-10(8)17-14(13)20)21-12-4-7(2)18-19-12/h4-6,13,16H,3H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyLWIMNVBXQRCLRG-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.77
Rot. Bonds4

About 5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one

5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one (PubChem CID 81336761) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
PubChem CID81336761
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(Oc3cc(C)[nH]n3)c(Cl)cc21
InChIInChI=1S/C14H15ClN4O2/c1-3-16-13-8-5-9(15)11(6-10(8)17-14(13)20)21-12-4-7(2)18-19-12/h4-6,13,16H,3H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyLWIMNVBXQRCLRG-UHFFFAOYSA-N
XLogP2.77
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one (CID 81336761) is 5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(Oc3cc(C)[nH]n3)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
The InChIKey is LWIMNVBXQRCLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-3-16-13-8-5-9(15)11(6-10(8)17-14(13)20)21-12-4-7(2)18-19-12/h4-6,13,16H,3H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one?
5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one has a molecular weight of 306.75 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(ethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 81336761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).