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

C22H18N4 — CID 139197585

IUPAC3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1c[nH]c(C(c2ccc(-c3c[nH]c4ncccc34)cc2)c2ccc[nH]2)c1
InChIInChI=1S/C22H18N4/c1-4-17-18(14-26-22(17)25-13-1)15-7-9-16(10-8-15)21(19-5-2-11-23-19)20-6-3-12-24-20/h1-14,21,23-24H,(H,25,26)
InChIKeyRAPPPQYLHJYLAF-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.07
Rot. Bonds4

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

3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 139197585) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID139197585
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1c[nH]c(C(c2ccc(-c3c[nH]c4ncccc34)cc2)c2ccc[nH]2)c1
InChIInChI=1S/C22H18N4/c1-4-17-18(14-26-22(17)25-13-1)15-7-9-16(10-8-15)21(19-5-2-11-23-19)20-6-3-12-24-20/h1-14,21,23-24H,(H,25,26)
InChIKeyRAPPPQYLHJYLAF-UHFFFAOYSA-N
XLogP5.07
TPSA60.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 58087873
3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 138674165
3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 170418991
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 123600339
pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone
CID 58087868
2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol
CID 175604579
3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 143384633
2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
CID 166338323
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole
CID 163936836
6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
CID 53494817
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528

Frequently Asked Questions

What is the IUPAC name of 3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 139197585) is 3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine is c1c[nH]c(C(c2ccc(-c3c[nH]c4ncccc34)cc2)c2ccc[nH]2)c1.
What is the InChIKey of 3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RAPPPQYLHJYLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-4-17-18(14-26-22(17)25-13-1)15-7-9-16(10-8-15)21(19-5-2-11-23-19)20-6-3-12-24-20/h1-14,21,23-24H,(H,25,26).
What are the key properties of 3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine?
3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 338.41 g/mol, XLogP of 5.07, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 139197585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).