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UGOBYQRYYQCZRB-UHFFFAOYSA-N

C24H28FN7O2S — CID 11511633

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[[[4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperazin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2ncc(F)c(CCN3CCNC(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1
InChIInChI=1S/C24H28FN7O2S/c1-34-22-5-3-19-23(31-22)17(18(25)12-28-19)6-8-32-9-7-27-16(13-32)11-26-10-15-2-4-20-24(29-15)30-21(33)14-35-20/h2-5,12,16,26-27H,6-11,13-14H2,1H3,(H,29,30,33)
InChIKeyUGOBYQRYYQCZRB-UHFFFAOYSA-N
MW497.60 g/mol
LogP1.82
Rot. Bonds8

About UGOBYQRYYQCZRB-UHFFFAOYSA-N

UGOBYQRYYQCZRB-UHFFFAOYSA-N (PubChem CID 11511633) has the molecular formula C24H28FN7O2S and a molecular weight of 497.60 g/mol. Its IUPAC name is 6-[[[4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperazin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound NameUGOBYQRYYQCZRB-UHFFFAOYSA-N
PubChem CID11511633
Molecular FormulaC24H28FN7O2S
Molecular Weight497.60 g/mol
Exact Mass497.20
IUPAC Name6-[[[4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperazin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2ncc(F)c(CCN3CCNC(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1
InChIInChI=1S/C24H28FN7O2S/c1-34-22-5-3-19-23(31-22)17(18(25)12-28-19)6-8-32-9-7-27-16(13-32)11-26-10-15-2-4-20-24(29-15)30-21(33)14-35-20/h2-5,12,16,26-27H,6-11,13-14H2,1H3,(H,29,30,33)
InChIKeyUGOBYQRYYQCZRB-UHFFFAOYSA-N
XLogP1.82
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of UGOBYQRYYQCZRB-UHFFFAOYSA-N?
The IUPAC name of UGOBYQRYYQCZRB-UHFFFAOYSA-N (CID 11511633) is 6-[[[4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperazin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for UGOBYQRYYQCZRB-UHFFFAOYSA-N?
The canonical SMILES for UGOBYQRYYQCZRB-UHFFFAOYSA-N is COc1ccc2ncc(F)c(CCN3CCNC(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1.
What is the InChIKey of UGOBYQRYYQCZRB-UHFFFAOYSA-N?
The InChIKey is UGOBYQRYYQCZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O2S/c1-34-22-5-3-19-23(31-22)17(18(25)12-28-19)6-8-32-9-7-27-16(13-32)11-26-10-15-2-4-20-24(29-15)30-21(33)14-35-20/h2-5,12,16,26-27H,6-11,13-14H2,1H3,(H,29,30,33).
What are the key properties of UGOBYQRYYQCZRB-UHFFFAOYSA-N?
UGOBYQRYYQCZRB-UHFFFAOYSA-N has a molecular weight of 497.60 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for UGOBYQRYYQCZRB-UHFFFAOYSA-N is sourced from PubChem (CID 11511633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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