4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C16H16N4O — CID 118190179

IUPAC4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2c[nH]c3nccc(C4=CCOCC4)c23)cn1
InChIInChI=1S/C16H16N4O/c1-20-10-12(8-19-20)14-9-18-16-15(14)13(2-5-17-16)11-3-6-21-7-4-11/h2-3,5,8-10H,4,6-7H2,1H3,(H,17,18)
InChIKeyRKEOLLCGWXDSJV-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.77
Rot. Bonds2

About 4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118190179) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID118190179
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2c[nH]c3nccc(C4=CCOCC4)c23)cn1
InChIInChI=1S/C16H16N4O/c1-20-10-12(8-19-20)14-9-18-16-15(14)13(2-5-17-16)11-3-6-21-7-4-11/h2-3,5,8-10H,4,6-7H2,1H3,(H,17,18)
InChIKeyRKEOLLCGWXDSJV-UHFFFAOYSA-N
XLogP2.77
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 118190179) is 4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2c[nH]c3nccc(C4=CCOCC4)c23)cn1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RKEOLLCGWXDSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20-10-12(8-19-20)14-9-18-16-15(14)13(2-5-17-16)11-3-6-21-7-4-11/h2-3,5,8-10H,4,6-7H2,1H3,(H,17,18).
What are the key properties of 4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 280.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118190179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).