2-methoxy-5-[[(6-pyridin-4-yl-1H-indol-2-yl)amino]methyl]phenol

C21H19N3O2 — CID 91446995

IUPAC2-methoxy-5-[[(6-pyridin-4-yl-1H-indol-2-yl)amino]methyl]phenol
SMILESCOc1ccc(CNc2cc3ccc(-c4ccncc4)cc3[nH]2)cc1O
InChIInChI=1S/C21H19N3O2/c1-26-20-5-2-14(10-19(20)25)13-23-21-12-17-4-3-16(11-18(17)24-21)15-6-8-22-9-7-15/h2-12,23-25H,13H2,1H3
InChIKeyRVGMEGCAHKEKHF-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.56
Rot. Bonds5

About 2-methoxy-5-[[(6-pyridin-4-yl-1H-indol-2-yl)amino]methyl]phenol

2-methoxy-5-[[(6-pyridin-4-yl-1H-indol-2-yl)amino]methyl]phenol (PubChem CID 91446995) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-methoxy-5-[[(6-pyridin-4-yl-1H-indol-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[(6-pyridin-4-yl-1H-indol-2-yl)amino]methyl]phenol
PubChem CID91446995
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-methoxy-5-[[(6-pyridin-4-yl-1H-indol-2-yl)amino]methyl]phenol
SMILESCOc1ccc(CNc2cc3ccc(-c4ccncc4)cc3[nH]2)cc1O
InChIInChI=1S/C21H19N3O2/c1-26-20-5-2-14(10-19(20)25)13-23-21-12-17-4-3-16(11-18(17)24-21)15-6-8-22-9-7-15/h2-12,23-25H,13H2,1H3
InChIKeyRVGMEGCAHKEKHF-UHFFFAOYSA-N
XLogP4.56
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(6-pyridin-4-yl-1H-indol-2-yl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[(6-pyridin-4-yl-1H-indol-2-yl)amino]methyl]phenol (CID 91446995) is 2-methoxy-5-[[(6-pyridin-4-yl-1H-indol-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[(6-pyridin-4-yl-1H-indol-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[(6-pyridin-4-yl-1H-indol-2-yl)amino]methyl]phenol is COc1ccc(CNc2cc3ccc(-c4ccncc4)cc3[nH]2)cc1O.
What is the InChIKey of 2-methoxy-5-[[(6-pyridin-4-yl-1H-indol-2-yl)amino]methyl]phenol?
The InChIKey is RVGMEGCAHKEKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-20-5-2-14(10-19(20)25)13-23-21-12-17-4-3-16(11-18(17)24-21)15-6-8-22-9-7-15/h2-12,23-25H,13H2,1H3.
What are the key properties of 2-methoxy-5-[[(6-pyridin-4-yl-1H-indol-2-yl)amino]methyl]phenol?
2-methoxy-5-[[(6-pyridin-4-yl-1H-indol-2-yl)amino]methyl]phenol has a molecular weight of 345.40 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(6-pyridin-4-yl-1H-indol-2-yl)amino]methyl]phenol is sourced from PubChem (CID 91446995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).