3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine

C18H15N3 — CID 138674165

IUPAC3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]cc(-c3ccc(Cn4cccc4)cc3)c2c1
InChIInChI=1S/C18H15N3/c1-2-11-21(10-1)13-14-5-7-15(8-6-14)17-12-20-18-16(17)4-3-9-19-18/h1-12H,13H2,(H,19,20)
InChIKeyQKJZTCXOLLCZCH-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.08
Rot. Bonds3

About 3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine

3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 138674165) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID138674165
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]cc(-c3ccc(Cn4cccc4)cc3)c2c1
InChIInChI=1S/C18H15N3/c1-2-11-21(10-1)13-14-5-7-15(8-6-14)17-12-20-18-16(17)4-3-9-19-18/h1-12H,13H2,(H,19,20)
InChIKeyQKJZTCXOLLCZCH-UHFFFAOYSA-N
XLogP4.08
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Pyrrolo(2,3-b)pyridine
CID 9222
Rolodine
CID 5359646
5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1H-Pyrrolo[2,3-b]pyridine
CID 6603897
6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482
6-Azanyl-4-(3-Methylphenyl)-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86287744
5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135283800
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 10537176
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
7-Azaindole-3-carbonitrile
CID 10313195
9H-Pyrido(2,3-b)indole
CID 67486

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 138674165) is 3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is c1cnc2[nH]cc(-c3ccc(Cn4cccc4)cc3)c2c1.
What is the InChIKey of 3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QKJZTCXOLLCZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-2-11-21(10-1)13-14-5-7-15(8-6-14)17-12-20-18-16(17)4-3-9-19-18/h1-12H,13H2,(H,19,20).
What are the key properties of 3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 273.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 138674165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).