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LTTSUSKWMTYFDG-UHFFFAOYSA-N

C30H23F2N5O4 — CID 58158554

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

IUPACN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide
SMILESCc1cc(F)ccc1-n1cccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)c1=O
InChIInChI=1S/C30H23F2N5O4/c1-17-13-19(31)6-9-24(17)37-12-2-3-22(30(37)40)29(39)33-20-7-10-25(23(32)14-20)41-21-8-11-27-34-26(16-36(27)15-21)35-28(38)18-4-5-18/h2-3,6-16,18H,4-5H2,1H3,(H,33,39)(H,35,38)
InChIKeyLTTSUSKWMTYFDG-UHFFFAOYSA-N
MW555.54 g/mol
LogP5.46
Rot. Bonds7

About LTTSUSKWMTYFDG-UHFFFAOYSA-N

LTTSUSKWMTYFDG-UHFFFAOYSA-N (PubChem CID 58158554) has the molecular formula C30H23F2N5O4 and a molecular weight of 555.54 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameLTTSUSKWMTYFDG-UHFFFAOYSA-N
PubChem CID58158554
Molecular FormulaC30H23F2N5O4
Molecular Weight555.54 g/mol
Exact Mass555.17
IUPAC NameN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide
SMILESCc1cc(F)ccc1-n1cccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)c1=O
InChIInChI=1S/C30H23F2N5O4/c1-17-13-19(31)6-9-24(17)37-12-2-3-22(30(37)40)29(39)33-20-7-10-25(23(32)14-20)41-21-8-11-27-34-26(16-36(27)15-21)35-28(38)18-4-5-18/h2-3,6-16,18H,4-5H2,1H3,(H,33,39)(H,35,38)
InChIKeyLTTSUSKWMTYFDG-UHFFFAOYSA-N
XLogP5.46
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.54
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of LTTSUSKWMTYFDG-UHFFFAOYSA-N?
The IUPAC name of LTTSUSKWMTYFDG-UHFFFAOYSA-N (CID 58158554) is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for LTTSUSKWMTYFDG-UHFFFAOYSA-N?
The canonical SMILES for LTTSUSKWMTYFDG-UHFFFAOYSA-N is Cc1cc(F)ccc1-n1cccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)c1=O.
What is the InChIKey of LTTSUSKWMTYFDG-UHFFFAOYSA-N?
The InChIKey is LTTSUSKWMTYFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F2N5O4/c1-17-13-19(31)6-9-24(17)37-12-2-3-22(30(37)40)29(39)33-20-7-10-25(23(32)14-20)41-21-8-11-27-34-26(16-36(27)15-21)35-28(38)18-4-5-18/h2-3,6-16,18H,4-5H2,1H3,(H,33,39)(H,35,38).
What are the key properties of LTTSUSKWMTYFDG-UHFFFAOYSA-N?
LTTSUSKWMTYFDG-UHFFFAOYSA-N has a molecular weight of 555.54 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for LTTSUSKWMTYFDG-UHFFFAOYSA-N is sourced from PubChem (CID 58158554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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