1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine

C17H16N4 — CID 167165143

IUPAC1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESCc1cnc2c(c1)c(Cc1cnc3[nH]ccc3c1)cn2C
InChIInChI=1S/C17H16N4/c1-11-5-15-14(10-21(2)17(15)20-8-11)7-12-6-13-3-4-18-16(13)19-9-12/h3-6,8-10H,7H2,1-2H3,(H,18,19)
InChIKeyMAHSXHXXCMYTFK-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.35
Rot. Bonds2

About 1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine

1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine (PubChem CID 167165143) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine
PubChem CID167165143
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESCc1cnc2c(c1)c(Cc1cnc3[nH]ccc3c1)cn2C
InChIInChI=1S/C17H16N4/c1-11-5-15-14(10-21(2)17(15)20-8-11)7-12-6-13-3-4-18-16(13)19-9-12/h3-6,8-10H,7H2,1-2H3,(H,18,19)
InChIKeyMAHSXHXXCMYTFK-UHFFFAOYSA-N
XLogP3.35
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine (CID 167165143) is 1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine is Cc1cnc2c(c1)c(Cc1cnc3[nH]ccc3c1)cn2C.
What is the InChIKey of 1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is MAHSXHXXCMYTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-11-5-15-14(10-21(2)17(15)20-8-11)7-12-6-13-3-4-18-16(13)19-9-12/h3-6,8-10H,7H2,1-2H3,(H,18,19).
What are the key properties of 1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine?
1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 276.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 167165143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).