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

C23H24N8O — CID 139468706

IUPAC1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](n2cc(Nc3cc4cc(-c5cnccc5C)nc(N)c4cn3)cn2)C1
InChIInChI=1S/C23H24N8O/c1-14-3-5-25-10-19(14)21-7-16-8-22(26-11-20(16)23(24)29-21)28-17-9-27-31(12-17)18-4-6-30(13-18)15(2)32/h3,5,7-12,18H,4,6,13H2,1-2H3,(H2,24,29)(H,26,28)/t18-/m0/s1
InChIKeyILLRVHMISFMWRZ-SFHVURJKSA-N
MW428.50 g/mol
LogP3.32
Rot. Bonds4

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

1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone (PubChem CID 139468706) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone
PubChem CID139468706
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](n2cc(Nc3cc4cc(-c5cnccc5C)nc(N)c4cn3)cn2)C1
InChIInChI=1S/C23H24N8O/c1-14-3-5-25-10-19(14)21-7-16-8-22(26-11-20(16)23(24)29-21)28-17-9-27-31(12-17)18-4-6-30(13-18)15(2)32/h3,5,7-12,18H,4,6,13H2,1-2H3,(H2,24,29)(H,26,28)/t18-/m0/s1
InChIKeyILLRVHMISFMWRZ-SFHVURJKSA-N
XLogP3.32
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone (CID 139468706) is 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@H](n2cc(Nc3cc4cc(-c5cnccc5C)nc(N)c4cn3)cn2)C1.
What is the InChIKey of 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is ILLRVHMISFMWRZ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N8O/c1-14-3-5-25-10-19(14)21-7-16-8-22(26-11-20(16)23(24)29-21)28-17-9-27-31(12-17)18-4-6-30(13-18)15(2)32/h3,5,7-12,18H,4,6,13H2,1-2H3,(H2,24,29)(H,26,28)/t18-/m0/s1.
What are the key properties of 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 428.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 139468706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).