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

C24H21N5O3 — CID 90848486

IUPAC5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-nitroso-1,3-dihydroindol-2-one
SMILESN[C@H](COc1cncc(-c2ccc3c(c2)C(N=O)C(=O)N3)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H21N5O3/c25-17(7-16-11-27-21-4-2-1-3-19(16)21)13-32-18-8-15(10-26-12-18)14-5-6-22-20(9-14)23(29-31)24(30)28-22/h1-6,8-12,17,23,27H,7,13,25H2,(H,28,30)/t17-,23?/m0/s1
InChIKeyYUFYPCRVXXPXBP-NVHKAFQKSA-N
MW427.46 g/mol
LogP3.94
Rot. Bonds7

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

5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-nitroso-1,3-dihydroindol-2-one (PubChem CID 90848486) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-nitroso-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-nitroso-1,3-dihydroindol-2-one
PubChem CID90848486
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-nitroso-1,3-dihydroindol-2-one
SMILESN[C@H](COc1cncc(-c2ccc3c(c2)C(N=O)C(=O)N3)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H21N5O3/c25-17(7-16-11-27-21-4-2-1-3-19(16)21)13-32-18-8-15(10-26-12-18)14-5-6-22-20(9-14)23(29-31)24(30)28-22/h1-6,8-12,17,23,27H,7,13,25H2,(H,28,30)/t17-,23?/m0/s1
InChIKeyYUFYPCRVXXPXBP-NVHKAFQKSA-N
XLogP3.94
TPSA122.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-nitroso-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-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-nitroso-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-nitroso-1,3-dihydroindol-2-one (CID 90848486) is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-nitroso-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-nitroso-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-nitroso-1,3-dihydroindol-2-one is N[C@H](COc1cncc(-c2ccc3c(c2)C(N=O)C(=O)N3)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-nitroso-1,3-dihydroindol-2-one?
The InChIKey is YUFYPCRVXXPXBP-NVHKAFQKSA-N. The full InChI is InChI=1S/C24H21N5O3/c25-17(7-16-11-27-21-4-2-1-3-19(16)21)13-32-18-8-15(10-26-12-18)14-5-6-22-20(9-14)23(29-31)24(30)28-22/h1-6,8-12,17,23,27H,7,13,25H2,(H,28,30)/t17-,23?/m0/s1.
What are the key properties of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-nitroso-1,3-dihydroindol-2-one?
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-nitroso-1,3-dihydroindol-2-one has a molecular weight of 427.46 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 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-nitroso-1,3-dihydroindol-2-one is sourced from PubChem (CID 90848486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).