1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine

C16H17N3 — CID 89472581

IUPAC1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine
SMILESCc1cc(Cn2ccc3cccnc32)c(C)nc1C
InChIInChI=1S/C16H17N3/c1-11-9-15(13(3)18-12(11)2)10-19-8-6-14-5-4-7-17-16(14)19/h4-9H,10H2,1-3H3
InChIKeyBAQPOHBQOYBGRV-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.40
Rot. Bonds2

About 1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine

1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine (PubChem CID 89472581) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine
PubChem CID89472581
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine
SMILESCc1cc(Cn2ccc3cccnc32)c(C)nc1C
InChIInChI=1S/C16H17N3/c1-11-9-15(13(3)18-12(11)2)10-19-8-6-14-5-4-7-17-16(14)19/h4-9H,10H2,1-3H3
InChIKeyBAQPOHBQOYBGRV-UHFFFAOYSA-N
XLogP3.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine (CID 89472581) is 1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine is Cc1cc(Cn2ccc3cccnc32)c(C)nc1C.
What is the InChIKey of 1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine?
The InChIKey is BAQPOHBQOYBGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-9-15(13(3)18-12(11)2)10-19-8-6-14-5-4-7-17-16(14)19/h4-9H,10H2,1-3H3.
What are the key properties of 1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine?
1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine has a molecular weight of 251.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 89472581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).