8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one

C21H26FN5O3 — CID 58166731

IUPAC8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
SMILESCC(O)c1cc(Nc2cc3ccn(CCO)c(=O)c3c(NC(C)(C)C)n2)ncc1F
InChIInChI=1S/C21H26FN5O3/c1-12(29)14-10-16(23-11-15(14)22)24-17-9-13-5-6-27(7-8-28)20(30)18(13)19(25-17)26-21(2,3)4/h5-6,9-12,28-29H,7-8H2,1-4H3,(H2,23,24,25,26)
InChIKeySTZDWIFGVUYBOQ-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.93
Rot. Bonds6

About 8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one

8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one (PubChem CID 58166731) has the molecular formula C21H26FN5O3 and a molecular weight of 415.47 g/mol. Its IUPAC name is 8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
PubChem CID58166731
Molecular FormulaC21H26FN5O3
Molecular Weight415.47 g/mol
Exact Mass415.20
IUPAC Name8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
SMILESCC(O)c1cc(Nc2cc3ccn(CCO)c(=O)c3c(NC(C)(C)C)n2)ncc1F
InChIInChI=1S/C21H26FN5O3/c1-12(29)14-10-16(23-11-15(14)22)24-17-9-13-5-6-27(7-8-28)20(30)18(13)19(25-17)26-21(2,3)4/h5-6,9-12,28-29H,7-8H2,1-4H3,(H2,23,24,25,26)
InChIKeySTZDWIFGVUYBOQ-UHFFFAOYSA-N
XLogP2.93
TPSA112.30 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one 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 8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The IUPAC name of 8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one (CID 58166731) is 8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one is CC(O)c1cc(Nc2cc3ccn(CCO)c(=O)c3c(NC(C)(C)C)n2)ncc1F.
What is the InChIKey of 8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The InChIKey is STZDWIFGVUYBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O3/c1-12(29)14-10-16(23-11-15(14)22)24-17-9-13-5-6-27(7-8-28)20(30)18(13)19(25-17)26-21(2,3)4/h5-6,9-12,28-29H,7-8H2,1-4H3,(H2,23,24,25,26).
What are the key properties of 8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one has a molecular weight of 415.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(tert-butylamino)-6-[[5-fluoro-4-(1-hydroxyethyl)-2-pyridinyl]amino]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 58166731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).