[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxy-3-methylazetidin-1-yl)methanone

C24H24N6O2 — CID 118660866

IUPAC[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxy-3-methylazetidin-1-yl)methanone
SMILESCOC1(C)CN(C(=O)c2ccc3c(N)ncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1
InChIInChI=1S/C24H24N6O2/c1-24(32-3)13-30(14-24)23(31)20-9-8-18-21(28-20)19(11-26-22(18)25)16-6-4-15(5-7-16)17-10-27-29(2)12-17/h4-12H,13-14H2,1-3H3,(H2,25,26)
InChIKeyBIPBLKIGJHZBND-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.14
Rot. Bonds4

About [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxy-3-methylazetidin-1-yl)methanone

[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxy-3-methylazetidin-1-yl)methanone (PubChem CID 118660866) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxy-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxy-3-methylazetidin-1-yl)methanone
PubChem CID118660866
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxy-3-methylazetidin-1-yl)methanone
SMILESCOC1(C)CN(C(=O)c2ccc3c(N)ncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1
InChIInChI=1S/C24H24N6O2/c1-24(32-3)13-30(14-24)23(31)20-9-8-18-21(28-20)19(11-26-22(18)25)16-6-4-15(5-7-16)17-10-27-29(2)12-17/h4-12H,13-14H2,1-3H3,(H2,25,26)
InChIKeyBIPBLKIGJHZBND-UHFFFAOYSA-N
XLogP3.14
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-(3-methoxy-3-methylazetidin-1-yl)methanone?
The IUPAC name of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxy-3-methylazetidin-1-yl)methanone (CID 118660866) is [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxy-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxy-3-methylazetidin-1-yl)methanone?
The canonical SMILES for [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxy-3-methylazetidin-1-yl)methanone is COC1(C)CN(C(=O)c2ccc3c(N)ncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1.
What is the InChIKey of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxy-3-methylazetidin-1-yl)methanone?
The InChIKey is BIPBLKIGJHZBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-24(32-3)13-30(14-24)23(31)20-9-8-18-21(28-20)19(11-26-22(18)25)16-6-4-15(5-7-16)17-10-27-29(2)12-17/h4-12H,13-14H2,1-3H3,(H2,25,26).
What are the key properties of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxy-3-methylazetidin-1-yl)methanone?
[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxy-3-methylazetidin-1-yl)methanone has a molecular weight of 428.50 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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]-(3-methoxy-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 118660866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).