4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine

C22H22N4O2 — CID 134806011

IUPAC4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine
SMILESCOCCn1ccc2c(C3=CCOCC3)nc(-c3cccc4cn[nH]c34)cc21
InChIInChI=1S/C22H22N4O2/c1-27-12-9-26-8-5-18-20(26)13-19(24-21(18)15-6-10-28-11-7-15)17-4-2-3-16-14-23-25-22(16)17/h2-6,8,13-14H,7,9-12H2,1H3,(H,23,25)
InChIKeyRZANTSXLQHRISV-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.03
Rot. Bonds5

About 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine

4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine (PubChem CID 134806011) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine
PubChem CID134806011
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine
SMILESCOCCn1ccc2c(C3=CCOCC3)nc(-c3cccc4cn[nH]c34)cc21
InChIInChI=1S/C22H22N4O2/c1-27-12-9-26-8-5-18-20(26)13-19(24-21(18)15-6-10-28-11-7-15)17-4-2-3-16-14-23-25-22(16)17/h2-6,8,13-14H,7,9-12H2,1H3,(H,23,25)
InChIKeyRZANTSXLQHRISV-UHFFFAOYSA-N
XLogP4.03
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine (CID 134806011) is 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine is COCCn1ccc2c(C3=CCOCC3)nc(-c3cccc4cn[nH]c34)cc21.
What is the InChIKey of 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine?
The InChIKey is RZANTSXLQHRISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-27-12-9-26-8-5-18-20(26)13-19(24-21(18)15-6-10-28-11-7-15)17-4-2-3-16-14-23-25-22(16)17/h2-6,8,13-14H,7,9-12H2,1H3,(H,23,25).
What are the key properties of 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine?
4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine has a molecular weight of 374.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 134806011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).