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

C29H26N4O3 — CID 45482467

IUPAC5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(5-methylfuran-2-yl)-1,3-dihydroindol-2-one
SMILESCc1ccc(C2C(=O)Nc3ccc(-c4cncc(OC[C@@H](N)Cc5c[nH]c6ccccc56)c4)cc32)o1
InChIInChI=1S/C29H26N4O3/c1-17-6-9-27(36-17)28-24-12-18(7-8-26(24)33-29(28)34)19-11-22(15-31-13-19)35-16-21(30)10-20-14-32-25-5-3-2-4-23(20)25/h2-9,11-15,21,28,32H,10,16,30H2,1H3,(H,33,34)/t21-,28?/m0/s1
InChIKeySWEIGEVGEYGUOU-QDLLFRBVSA-N
MW478.55 g/mol
LogP5.16
Rot. Bonds7

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

5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(5-methylfuran-2-yl)-1,3-dihydroindol-2-one (PubChem CID 45482467) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(5-methylfuran-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(5-methylfuran-2-yl)-1,3-dihydroindol-2-one
PubChem CID45482467
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(5-methylfuran-2-yl)-1,3-dihydroindol-2-one
SMILESCc1ccc(C2C(=O)Nc3ccc(-c4cncc(OC[C@@H](N)Cc5c[nH]c6ccccc56)c4)cc32)o1
InChIInChI=1S/C29H26N4O3/c1-17-6-9-27(36-17)28-24-12-18(7-8-26(24)33-29(28)34)19-11-22(15-31-13-19)35-16-21(30)10-20-14-32-25-5-3-2-4-23(20)25/h2-9,11-15,21,28,32H,10,16,30H2,1H3,(H,33,34)/t21-,28?/m0/s1
InChIKeySWEIGEVGEYGUOU-QDLLFRBVSA-N
XLogP5.16
TPSA106.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-(5-methylfuran-2-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(5-methylfuran-2-yl)-1,3-dihydroindol-2-one (CID 45482467) is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(5-methylfuran-2-yl)-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-(5-methylfuran-2-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(5-methylfuran-2-yl)-1,3-dihydroindol-2-one is Cc1ccc(C2C(=O)Nc3ccc(-c4cncc(OC[C@@H](N)Cc5c[nH]c6ccccc56)c4)cc32)o1.
What is the InChIKey of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(5-methylfuran-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is SWEIGEVGEYGUOU-QDLLFRBVSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-17-6-9-27(36-17)28-24-12-18(7-8-26(24)33-29(28)34)19-11-22(15-31-13-19)35-16-21(30)10-20-14-32-25-5-3-2-4-23(20)25/h2-9,11-15,21,28,32H,10,16,30H2,1H3,(H,33,34)/t21-,28?/m0/s1.
What are the key properties of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(5-methylfuran-2-yl)-1,3-dihydroindol-2-one?
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(5-methylfuran-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 478.55 g/mol, XLogP of 5.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 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-(5-methylfuran-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 45482467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).