5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one

C25H24N4O2 — CID 23647551

IUPAC5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc21
InChIInChI=1S/C25H24N4O2/c1-15-22-10-16(6-7-24(22)29-25(15)30)17-9-20(13-27-11-17)31-14-19(26)8-18-12-28-23-5-3-2-4-21(18)23/h2-7,9-13,15,19,28H,8,14,26H2,1H3,(H,29,30)/t15?,19-/m0/s1
InChIKeyKMCCWLYZWXETDV-FUBQLUNQSA-N
MW412.49 g/mol
LogP4.23
Rot. Bonds6

About 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one

5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one (PubChem CID 23647551) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one
PubChem CID23647551
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc21
InChIInChI=1S/C25H24N4O2/c1-15-22-10-16(6-7-24(22)29-25(15)30)17-9-20(13-27-11-17)31-14-19(26)8-18-12-28-23-5-3-2-4-21(18)23/h2-7,9-13,15,19,28H,8,14,26H2,1H3,(H,29,30)/t15?,19-/m0/s1
InChIKeyKMCCWLYZWXETDV-FUBQLUNQSA-N
XLogP4.23
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one (CID 23647551) is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc21.
What is the InChIKey of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is KMCCWLYZWXETDV-FUBQLUNQSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-15-22-10-16(6-7-24(22)29-25(15)30)17-9-20(13-27-11-17)31-14-19(26)8-18-12-28-23-5-3-2-4-21(18)23/h2-7,9-13,15,19,28H,8,14,26H2,1H3,(H,29,30)/t15?,19-/m0/s1.
What are the key properties of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one?
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 412.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 23647551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).