6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide

C27H27F2N5O3S — CID 162658497

IUPAC6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC1CCC(C2C(=O)c3cc(F)cnc3N(C3CCSCC3)C2=O)CC1)c1cn2cc(F)ccc2n1
InChIInChI=1S/C27H27F2N5O3S/c28-16-3-6-22-32-21(14-33(22)13-16)26(36)31-18-4-1-15(2-5-18)23-24(35)20-11-17(29)12-30-25(20)34(27(23)37)19-7-9-38-10-8-19/h3,6,11-15,18-19,23H,1-2,4-5,7-10H2,(H,31,36)
InChIKeyRLTQIYFPNBRCCW-UHFFFAOYSA-N
MW539.61 g/mol
LogP4.04
Rot. Bonds4

About 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide

6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162658497) has the molecular formula C27H27F2N5O3S and a molecular weight of 539.61 g/mol. Its IUPAC name is 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162658497
Molecular FormulaC27H27F2N5O3S
Molecular Weight539.61 g/mol
Exact Mass539.18
IUPAC Name6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC1CCC(C2C(=O)c3cc(F)cnc3N(C3CCSCC3)C2=O)CC1)c1cn2cc(F)ccc2n1
InChIInChI=1S/C27H27F2N5O3S/c28-16-3-6-22-32-21(14-33(22)13-16)26(36)31-18-4-1-15(2-5-18)23-24(35)20-11-17(29)12-30-25(20)34(27(23)37)19-7-9-38-10-8-19/h3,6,11-15,18-19,23H,1-2,4-5,7-10H2,(H,31,36)
InChIKeyRLTQIYFPNBRCCW-UHFFFAOYSA-N
XLogP4.04
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.61
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide 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 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162658497) is 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NC1CCC(C2C(=O)c3cc(F)cnc3N(C3CCSCC3)C2=O)CC1)c1cn2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is RLTQIYFPNBRCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O3S/c28-16-3-6-22-32-21(14-33(22)13-16)26(36)31-18-4-1-15(2-5-18)23-24(35)20-11-17(29)12-30-25(20)34(27(23)37)19-7-9-38-10-8-19/h3,6,11-15,18-19,23H,1-2,4-5,7-10H2,(H,31,36).
What are the key properties of 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 539.61 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)-1,8-naphthyridin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162658497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).