3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol

C21H16N4O — CID 170418989

IUPAC3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol
SMILESOc1cccc(C(c2c[nH]c3cnccc23)c2c[nH]c3cnccc23)c1
InChIInChI=1S/C21H16N4O/c26-14-3-1-2-13(8-14)21(17-9-24-19-11-22-6-4-15(17)19)18-10-25-20-12-23-7-5-16(18)20/h1-12,21,24-26H
InChIKeyBJSGKYUKGWBKQR-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.32
Rot. Bonds3

About 3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol

3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol (PubChem CID 170418989) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol.

Molecular Properties

Compound Name3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol
PubChem CID170418989
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol
SMILESOc1cccc(C(c2c[nH]c3cnccc23)c2c[nH]c3cnccc23)c1
InChIInChI=1S/C21H16N4O/c26-14-3-1-2-13(8-14)21(17-9-24-19-11-22-6-4-15(17)19)18-10-25-20-12-23-7-5-16(18)20/h1-12,21,24-26H
InChIKeyBJSGKYUKGWBKQR-UHFFFAOYSA-N
XLogP4.32
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol
CID 172711246
3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol
CID 110453556
CID 155716847
CID 155716847
1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid
CID 52982877
3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole
CID 71444035
2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol
CID 172685191
3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine
CID 70909510
2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol
CID 172802738
3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol
CID 139526498
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole
CID 46845933
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
3-hydroxy-6-(hydroxymethyl)-2-[1H-indol-3-yl-(3-phenoxyphenyl)methyl]pyran-4-one
CID 50925561

Frequently Asked Questions

What is the IUPAC name of 3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol?
The IUPAC name of 3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol (CID 170418989) is 3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol.
What is the SMILES notation for 3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol?
The canonical SMILES for 3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol is Oc1cccc(C(c2c[nH]c3cnccc23)c2c[nH]c3cnccc23)c1.
What is the InChIKey of 3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol?
The InChIKey is BJSGKYUKGWBKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c26-14-3-1-2-13(8-14)21(17-9-24-19-11-22-6-4-15(17)19)18-10-25-20-12-23-7-5-16(18)20/h1-12,21,24-26H.
What are the key properties of 3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol?
3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol has a molecular weight of 340.39 g/mol, XLogP of 4.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]phenol is sourced from PubChem (CID 170418989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).