1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone

C22H22N8O — CID 135344493

IUPAC1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(n2cc(Nc3cc4cc(-c5cnccc5C)nc(N)c4cn3)cn2)C1
InChIInChI=1S/C22H22N8O/c1-13-3-4-24-8-18(13)20-5-15-6-21(25-9-19(15)22(23)28-20)27-16-7-26-30(10-16)17-11-29(12-17)14(2)31/h3-10,17H,11-12H2,1-2H3,(H2,23,28)(H,25,27)
InChIKeyQTIIBHPAZFFSMG-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.93
Rot. Bonds4

About 1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone

1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone (PubChem CID 135344493) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone
PubChem CID135344493
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(n2cc(Nc3cc4cc(-c5cnccc5C)nc(N)c4cn3)cn2)C1
InChIInChI=1S/C22H22N8O/c1-13-3-4-24-8-18(13)20-5-15-6-21(25-9-19(15)22(23)28-20)27-16-7-26-30(10-16)17-11-29(12-17)14(2)31/h3-10,17H,11-12H2,1-2H3,(H2,23,28)(H,25,27)
InChIKeyQTIIBHPAZFFSMG-UHFFFAOYSA-N
XLogP2.93
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone (CID 135344493) is 1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone is CC(=O)N1CC(n2cc(Nc3cc4cc(-c5cnccc5C)nc(N)c4cn3)cn2)C1.
What is the InChIKey of 1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone?
The InChIKey is QTIIBHPAZFFSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-13-3-4-24-8-18(13)20-5-15-6-21(25-9-19(15)22(23)28-20)27-16-7-26-30(10-16)17-11-29(12-17)14(2)31/h3-10,17H,11-12H2,1-2H3,(H2,23,28)(H,25,27).
What are the key properties of 1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone?
1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone has a molecular weight of 414.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 135344493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).