(4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

C16H16BrN3O — CID 60956009

IUPAC(4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C(c1cc(Br)cn1C1CC1)N1CCc2ncccc2C1
InChIInChI=1S/C16H16BrN3O/c17-12-8-15(20(10-12)13-3-4-13)16(21)19-7-5-14-11(9-19)2-1-6-18-14/h1-2,6,8,10,13H,3-5,7,9H2
InChIKeyLNDYJXQXUGSFGO-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.18
Rot. Bonds2

About (4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

(4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (PubChem CID 60956009) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is (4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
PubChem CID60956009
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name(4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C(c1cc(Br)cn1C1CC1)N1CCc2ncccc2C1
InChIInChI=1S/C16H16BrN3O/c17-12-8-15(20(10-12)13-3-4-13)16(21)19-7-5-14-11(9-19)2-1-6-18-14/h1-2,6,8,10,13H,3-5,7,9H2
InChIKeyLNDYJXQXUGSFGO-UHFFFAOYSA-N
XLogP3.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of (4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (CID 60956009) is (4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for (4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for (4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is O=C(c1cc(Br)cn1C1CC1)N1CCc2ncccc2C1.
What is the InChIKey of (4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The InChIKey is LNDYJXQXUGSFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c17-12-8-15(20(10-12)13-3-4-13)16(21)19-7-5-14-11(9-19)2-1-6-18-14/h1-2,6,8,10,13H,3-5,7,9H2.
What are the key properties of (4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
(4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone has a molecular weight of 346.23 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 60956009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).