(2-methyl-6-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

C25H23N3O2S — CID 10025662

IUPAC(2-methyl-6-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESCc1[nH]c2cc(OCc3ccccc3)ccc2c1C(=O)[C@@H]1CSC(c2cccnc2)N1
InChIInChI=1S/C25H23N3O2S/c1-16-23(24(29)22-15-31-25(28-22)18-8-5-11-26-13-18)20-10-9-19(12-21(20)27-16)30-14-17-6-3-2-4-7-17/h2-13,22,25,27-28H,14-15H2,1H3/t22-,25?/m0/s1
InChIKeyZETIYJQATOWHHF-XADRRFQNSA-N
MW429.55 g/mol
LogP5.04
Rot. Bonds6

About (2-methyl-6-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

(2-methyl-6-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (PubChem CID 10025662) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is (2-methyl-6-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name(2-methyl-6-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
PubChem CID10025662
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name(2-methyl-6-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESCc1[nH]c2cc(OCc3ccccc3)ccc2c1C(=O)[C@@H]1CSC(c2cccnc2)N1
InChIInChI=1S/C25H23N3O2S/c1-16-23(24(29)22-15-31-25(28-22)18-8-5-11-26-13-18)20-10-9-19(12-21(20)27-16)30-14-17-6-3-2-4-7-17/h2-13,22,25,27-28H,14-15H2,1H3/t22-,25?/m0/s1
InChIKeyZETIYJQATOWHHF-XADRRFQNSA-N
XLogP5.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of (2-methyl-6-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (CID 10025662) is (2-methyl-6-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for (2-methyl-6-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for (2-methyl-6-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is Cc1[nH]c2cc(OCc3ccccc3)ccc2c1C(=O)[C@@H]1CSC(c2cccnc2)N1.
What is the InChIKey of (2-methyl-6-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is ZETIYJQATOWHHF-XADRRFQNSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-16-23(24(29)22-15-31-25(28-22)18-8-5-11-26-13-18)20-10-9-19(12-21(20)27-16)30-14-17-6-3-2-4-7-17/h2-13,22,25,27-28H,14-15H2,1H3/t22-,25?/m0/s1.
What are the key properties of (2-methyl-6-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
(2-methyl-6-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 429.55 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 10025662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).