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

C22H22N4O2 — CID 134807765

IUPAC4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-6-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine
SMILESCOCCn1ccc2c(C3=CCOCC3)nc(-c3ccc4cn[nH]c4c3)cc21
InChIInChI=1S/C22H22N4O2/c1-27-11-8-26-7-4-18-21(26)13-19(24-22(18)15-5-9-28-10-6-15)16-2-3-17-14-23-25-20(17)12-16/h2-5,7,12-14H,6,8-11H2,1H3,(H,23,25)
InChIKeyGWPRRXOANDCEEF-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.03
Rot. Bonds5

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

4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-6-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine (PubChem CID 134807765) 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-6-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-6-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine
PubChem CID134807765
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-6-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine
SMILESCOCCn1ccc2c(C3=CCOCC3)nc(-c3ccc4cn[nH]c4c3)cc21
InChIInChI=1S/C22H22N4O2/c1-27-11-8-26-7-4-18-21(26)13-19(24-22(18)15-5-9-28-10-6-15)16-2-3-17-14-23-25-20(17)12-16/h2-5,7,12-14H,6,8-11H2,1H3,(H,23,25)
InChIKeyGWPRRXOANDCEEF-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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-6-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-6-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine (CID 134807765) is 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-6-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-6-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-6-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine is COCCn1ccc2c(C3=CCOCC3)nc(-c3ccc4cn[nH]c4c3)cc21.
What is the InChIKey of 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-6-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine?
The InChIKey is GWPRRXOANDCEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-27-11-8-26-7-4-18-21(26)13-19(24-22(18)15-5-9-28-10-6-15)16-2-3-17-14-23-25-20(17)12-16/h2-5,7,12-14H,6,8-11H2,1H3,(H,23,25).
What are the key properties of 4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-6-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine?
4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-6-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-6-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 134807765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).