1-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]butan-1-one

C19H22N4O — CID 157180197

IUPAC1-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]butan-1-one
SMILESCCCC(=O)C1CCCN(c2cc[nH]c3cnc4nccc4c23)C1
InChIInChI=1S/C19H22N4O/c1-2-4-17(24)13-5-3-10-23(12-13)16-7-9-20-15-11-22-19-14(18(15)16)6-8-21-19/h6-9,11,13,20H,2-5,10,12H2,1H3
InChIKeyGCDJGDHVVQZCFW-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.70
Rot. Bonds4

About 1-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]butan-1-one

1-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]butan-1-one (PubChem CID 157180197) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]butan-1-one
PubChem CID157180197
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]butan-1-one
SMILESCCCC(=O)C1CCCN(c2cc[nH]c3cnc4nccc4c23)C1
InChIInChI=1S/C19H22N4O/c1-2-4-17(24)13-5-3-10-23(12-13)16-7-9-20-15-11-22-19-14(18(15)16)6-8-21-19/h6-9,11,13,20H,2-5,10,12H2,1H3
InChIKeyGCDJGDHVVQZCFW-UHFFFAOYSA-N
XLogP3.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]butan-1-one?
The IUPAC name of 1-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]butan-1-one (CID 157180197) is 1-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]butan-1-one.
What is the SMILES notation for 1-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]butan-1-one?
The canonical SMILES for 1-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]butan-1-one is CCCC(=O)C1CCCN(c2cc[nH]c3cnc4nccc4c23)C1.
What is the InChIKey of 1-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]butan-1-one?
The InChIKey is GCDJGDHVVQZCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-4-17(24)13-5-3-10-23(12-13)16-7-9-20-15-11-22-19-14(18(15)16)6-8-21-19/h6-9,11,13,20H,2-5,10,12H2,1H3.
What are the key properties of 1-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]butan-1-one?
1-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]butan-1-one has a molecular weight of 322.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]butan-1-one is sourced from PubChem (CID 157180197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).