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

C16H14N4 — CID 139449500

IUPAC1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-c]pyridine
SMILESCn1cc(Cc2cnc3[nH]ccc3c2)c2ccncc21
InChIInChI=1S/C16H14N4/c1-20-10-13(14-3-4-17-9-15(14)20)7-11-6-12-2-5-18-16(12)19-8-11/h2-6,8-10H,7H2,1H3,(H,18,19)
InChIKeyXSGDGZHOIFZDBX-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.04
Rot. Bonds2

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

1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-c]pyridine (PubChem CID 139449500) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-c]pyridine
PubChem CID139449500
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-c]pyridine
SMILESCn1cc(Cc2cnc3[nH]ccc3c2)c2ccncc21
InChIInChI=1S/C16H14N4/c1-20-10-13(14-3-4-17-9-15(14)20)7-11-6-12-2-5-18-16(12)19-8-11/h2-6,8-10H,7H2,1H3,(H,18,19)
InChIKeyXSGDGZHOIFZDBX-UHFFFAOYSA-N
XLogP3.04
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-c]pyridine (CID 139449500) is 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-c]pyridine is Cn1cc(Cc2cnc3[nH]ccc3c2)c2ccncc21.
What is the InChIKey of 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-c]pyridine?
The InChIKey is XSGDGZHOIFZDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-20-10-13(14-3-4-17-9-15(14)20)7-11-6-12-2-5-18-16(12)19-8-11/h2-6,8-10H,7H2,1H3,(H,18,19).
What are the key properties of 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-c]pyridine?
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-c]pyridine has a molecular weight of 262.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 139449500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).