3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide

C26H26F3N5O3S — CID 25097785

IUPAC3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(C(F)(F)F)nc3)cccn12
InChIInChI=1S/C26H26F3N5O3S/c1-15(2)10-18(13-35)32-25(37)22-21(17-7-9-38-14-17)33-23-19(4-3-8-34(22)23)24(36)31-12-16-5-6-20(30-11-16)26(27,28)29/h3-9,11,14-15,18,35H,10,12-13H2,1-2H3,(H,31,36)(H,32,37)/t18-/m0/s1
InChIKeyRFVFVYUEOWEBRB-SFHVURJKSA-N
MW545.59 g/mol
LogP4.54
Rot. Bonds9

About 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide

3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 25097785) has the molecular formula C26H26F3N5O3S and a molecular weight of 545.59 g/mol. Its IUPAC name is 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID25097785
Molecular FormulaC26H26F3N5O3S
Molecular Weight545.59 g/mol
Exact Mass545.17
IUPAC Name3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(C(F)(F)F)nc3)cccn12
InChIInChI=1S/C26H26F3N5O3S/c1-15(2)10-18(13-35)32-25(37)22-21(17-7-9-38-14-17)33-23-19(4-3-8-34(22)23)24(36)31-12-16-5-6-20(30-11-16)26(27,28)29/h3-9,11,14-15,18,35H,10,12-13H2,1-2H3,(H,31,36)(H,32,37)/t18-/m0/s1
InChIKeyRFVFVYUEOWEBRB-SFHVURJKSA-N
XLogP4.54
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.59
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 25097785) is 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide is CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(C(F)(F)F)nc3)cccn12.
What is the InChIKey of 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is RFVFVYUEOWEBRB-SFHVURJKSA-N. The full InChI is InChI=1S/C26H26F3N5O3S/c1-15(2)10-18(13-35)32-25(37)22-21(17-7-9-38-14-17)33-23-19(4-3-8-34(22)23)24(36)31-12-16-5-6-20(30-11-16)26(27,28)29/h3-9,11,14-15,18,35H,10,12-13H2,1-2H3,(H,31,36)(H,32,37)/t18-/m0/s1.
What are the key properties of 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 545.59 g/mol, XLogP of 4.54, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 25097785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).