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

C27H24N6O2 — CID 45482053

IUPAC5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-imidazol-2-yl)-1,3-dihydroindol-2-one
SMILESN[C@H](COc1cncc(-c2ccc3c(c2)C(c2ncc[nH]2)C(=O)N3)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C27H24N6O2/c28-19(9-18-13-32-23-4-2-1-3-21(18)23)15-35-20-10-17(12-29-14-20)16-5-6-24-22(11-16)25(27(34)33-24)26-30-7-8-31-26/h1-8,10-14,19,25,32H,9,15,28H2,(H,30,31)(H,33,34)/t19-,25?/m0/s1
InChIKeyIPSDVNHSWVWWKS-UBDBMELISA-N
MW464.53 g/mol
LogP3.99
Rot. Bonds7

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

5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-imidazol-2-yl)-1,3-dihydroindol-2-one (PubChem CID 45482053) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-imidazol-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-imidazol-2-yl)-1,3-dihydroindol-2-one
PubChem CID45482053
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-imidazol-2-yl)-1,3-dihydroindol-2-one
SMILESN[C@H](COc1cncc(-c2ccc3c(c2)C(c2ncc[nH]2)C(=O)N3)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C27H24N6O2/c28-19(9-18-13-32-23-4-2-1-3-21(18)23)15-35-20-10-17(12-29-14-20)16-5-6-24-22(11-16)25(27(34)33-24)26-30-7-8-31-26/h1-8,10-14,19,25,32H,9,15,28H2,(H,30,31)(H,33,34)/t19-,25?/m0/s1
InChIKeyIPSDVNHSWVWWKS-UBDBMELISA-N
XLogP3.99
TPSA121.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.99
H-Bond Donors ≤ 54
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-(1H-imidazol-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-(1H-imidazol-2-yl)-1,3-dihydroindol-2-one (CID 45482053) is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-imidazol-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-(1H-imidazol-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-(1H-imidazol-2-yl)-1,3-dihydroindol-2-one is N[C@H](COc1cncc(-c2ccc3c(c2)C(c2ncc[nH]2)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-(1H-imidazol-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is IPSDVNHSWVWWKS-UBDBMELISA-N. The full InChI is InChI=1S/C27H24N6O2/c28-19(9-18-13-32-23-4-2-1-3-21(18)23)15-35-20-10-17(12-29-14-20)16-5-6-24-22(11-16)25(27(34)33-24)26-30-7-8-31-26/h1-8,10-14,19,25,32H,9,15,28H2,(H,30,31)(H,33,34)/t19-,25?/m0/s1.
What are the key properties of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-imidazol-2-yl)-1,3-dihydroindol-2-one?
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-imidazol-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 464.53 g/mol, XLogP of 3.99, 7 rotatable bonds, 4 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-(1H-imidazol-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 45482053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).