5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

C20H19N5 — CID 70922430

IUPAC5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(C2CNc3ncc(Cn4ccc5ccccc54)cc32)cn1
InChIInChI=1S/C20H19N5/c1-24-13-16(10-23-24)18-11-22-20-17(18)8-14(9-21-20)12-25-7-6-15-4-2-3-5-19(15)25/h2-10,13,18H,11-12H2,1H3,(H,21,22)
InChIKeyHKGMXKPJHVAEDS-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.38
Rot. Bonds3

About 5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 70922430) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID70922430
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(C2CNc3ncc(Cn4ccc5ccccc54)cc32)cn1
InChIInChI=1S/C20H19N5/c1-24-13-16(10-23-24)18-11-22-20-17(18)8-14(9-21-20)12-25-7-6-15-4-2-3-5-19(15)25/h2-10,13,18H,11-12H2,1H3,(H,21,22)
InChIKeyHKGMXKPJHVAEDS-UHFFFAOYSA-N
XLogP3.38
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 70922430) is 5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is Cn1cc(C2CNc3ncc(Cn4ccc5ccccc54)cc32)cn1.
What is the InChIKey of 5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HKGMXKPJHVAEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-24-13-16(10-23-24)18-11-22-20-17(18)8-14(9-21-20)12-25-7-6-15-4-2-3-5-19(15)25/h2-10,13,18H,11-12H2,1H3,(H,21,22).
What are the key properties of 5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 329.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70922430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).