2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde

C21H24N6O — CID 178095368

IUPAC2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde
SMILESCc1cc2cnc(-c3cn[nH]c3)cc2[nH]1.O=CN1CCCC1.c1ccncc1
InChIInChI=1S/C11H10N4.C5H9NO.C5H5N/c1-7-2-8-4-12-10(3-11(8)15-7)9-5-13-14-6-9;7-5-6-3-1-2-4-6;1-2-4-6-5-3-1/h2-6,15H,1H3,(H,13,14);5H,1-4H2;1-5H
InChIKeyZIEUEEOAHQHXMS-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.58
Rot. Bonds2

About 2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde

2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde (PubChem CID 178095368) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde
PubChem CID178095368
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde
SMILESCc1cc2cnc(-c3cn[nH]c3)cc2[nH]1.O=CN1CCCC1.c1ccncc1
InChIInChI=1S/C11H10N4.C5H9NO.C5H5N/c1-7-2-8-4-12-10(3-11(8)15-7)9-5-13-14-6-9;7-5-6-3-1-2-4-6;1-2-4-6-5-3-1/h2-6,15H,1H3,(H,13,14);5H,1-4H2;1-5H
InChIKeyZIEUEEOAHQHXMS-UHFFFAOYSA-N
XLogP3.58
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde (CID 178095368) is 2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde is Cc1cc2cnc(-c3cn[nH]c3)cc2[nH]1.O=CN1CCCC1.c1ccncc1.
What is the InChIKey of 2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde?
The InChIKey is ZIEUEEOAHQHXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4.C5H9NO.C5H5N/c1-7-2-8-4-12-10(3-11(8)15-7)9-5-13-14-6-9;7-5-6-3-1-2-4-6;1-2-4-6-5-3-1/h2-6,15H,1H3,(H,13,14);5H,1-4H2;1-5H.
What are the key properties of 2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde?
2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde has a molecular weight of 376.46 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 178095368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).