[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(azetidin-1-yl)methanone

C22H20N6O — CID 118660701

IUPAC[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(azetidin-1-yl)methanone
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CCC5)nc34)cc2)cn1
InChIInChI=1S/C22H20N6O/c1-27-13-16(11-25-27)14-3-5-15(6-4-14)18-12-24-21(23)17-7-8-19(26-20(17)18)22(29)28-9-2-10-28/h3-8,11-13H,2,9-10H2,1H3,(H2,23,24)
InChIKeyLOOFFGPDPOEAMT-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.13
Rot. Bonds3

About [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(azetidin-1-yl)methanone

[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(azetidin-1-yl)methanone (PubChem CID 118660701) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(azetidin-1-yl)methanone.

Molecular Properties

Compound Name[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(azetidin-1-yl)methanone
PubChem CID118660701
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(azetidin-1-yl)methanone
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CCC5)nc34)cc2)cn1
InChIInChI=1S/C22H20N6O/c1-27-13-16(11-25-27)14-3-5-15(6-4-14)18-12-24-21(23)17-7-8-19(26-20(17)18)22(29)28-9-2-10-28/h3-8,11-13H,2,9-10H2,1H3,(H2,23,24)
InChIKeyLOOFFGPDPOEAMT-UHFFFAOYSA-N
XLogP3.13
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(azetidin-1-yl)methanone?
The IUPAC name of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(azetidin-1-yl)methanone (CID 118660701) is [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(azetidin-1-yl)methanone.
What is the SMILES notation for [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(azetidin-1-yl)methanone?
The canonical SMILES for [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(azetidin-1-yl)methanone is Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CCC5)nc34)cc2)cn1.
What is the InChIKey of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(azetidin-1-yl)methanone?
The InChIKey is LOOFFGPDPOEAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-27-13-16(11-25-27)14-3-5-15(6-4-14)18-12-24-21(23)17-7-8-19(26-20(17)18)22(29)28-9-2-10-28/h3-8,11-13H,2,9-10H2,1H3,(H2,23,24).
What are the key properties of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(azetidin-1-yl)methanone?
[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(azetidin-1-yl)methanone has a molecular weight of 384.44 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(azetidin-1-yl)methanone is sourced from PubChem (CID 118660701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).