3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine

C16H14N6 — CID 175819149

IUPAC3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine
SMILESCn1cc(-c2cn(Cc3ncccn3)c3cccnc23)cn1
InChIInChI=1S/C16H14N6/c1-21-9-12(8-20-21)13-10-22(11-15-17-6-3-7-18-15)14-4-2-5-19-16(13)14/h2-10H,11H2,1H3
InChIKeyGRZBLUILOASSAA-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.28
Rot. Bonds3

About 3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine

3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine (PubChem CID 175819149) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine
PubChem CID175819149
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine
SMILESCn1cc(-c2cn(Cc3ncccn3)c3cccnc23)cn1
InChIInChI=1S/C16H14N6/c1-21-9-12(8-20-21)13-10-22(11-15-17-6-3-7-18-15)14-4-2-5-19-16(13)14/h2-10H,11H2,1H3
InChIKeyGRZBLUILOASSAA-UHFFFAOYSA-N
XLogP2.28
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine (CID 175819149) is 3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine is Cn1cc(-c2cn(Cc3ncccn3)c3cccnc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine?
The InChIKey is GRZBLUILOASSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c1-21-9-12(8-20-21)13-10-22(11-15-17-6-3-7-18-15)14-4-2-5-19-16(13)14/h2-10H,11H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine?
3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine has a molecular weight of 290.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 175819149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).