2,3-dihydroindol-1-yl-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazol-4-yl]methanone

C23H19N5O2 — CID 71793938

IUPAC2,3-dihydroindol-1-yl-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazol-4-yl]methanone
SMILESCOc1ccccc1-n1nnc(C(=O)N2CCc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C23H19N5O2/c1-30-20-12-5-4-11-19(20)28-22(17-9-6-7-14-24-17)21(25-26-28)23(29)27-15-13-16-8-2-3-10-18(16)27/h2-12,14H,13,15H2,1H3
InChIKeyFVRSKTVURKBYHV-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.54
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazol-4-yl]methanone

2,3-dihydroindol-1-yl-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazol-4-yl]methanone (PubChem CID 71793938) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazol-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazol-4-yl]methanone
PubChem CID71793938
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name2,3-dihydroindol-1-yl-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazol-4-yl]methanone
SMILESCOc1ccccc1-n1nnc(C(=O)N2CCc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C23H19N5O2/c1-30-20-12-5-4-11-19(20)28-22(17-9-6-7-14-24-17)21(25-26-28)23(29)27-15-13-16-8-2-3-10-18(16)27/h2-12,14H,13,15H2,1H3
InChIKeyFVRSKTVURKBYHV-UHFFFAOYSA-N
XLogP3.54
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazol-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazol-4-yl]methanone (CID 71793938) is 2,3-dihydroindol-1-yl-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazol-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazol-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazol-4-yl]methanone is COc1ccccc1-n1nnc(C(=O)N2CCc3ccccc32)c1-c1ccccn1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazol-4-yl]methanone?
The InChIKey is FVRSKTVURKBYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-30-20-12-5-4-11-19(20)28-22(17-9-6-7-14-24-17)21(25-26-28)23(29)27-15-13-16-8-2-3-10-18(16)27/h2-12,14H,13,15H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazol-4-yl]methanone?
2,3-dihydroindol-1-yl-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazol-4-yl]methanone has a molecular weight of 397.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-(2-methoxyphenyl)-5-pyridin-2-yltriazol-4-yl]methanone is sourced from PubChem (CID 71793938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).