carbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten

C48H53F6N10O7W- — CID 165084962

IUPACcarbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten
SMILESCC(=O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCC(C)(O)CC3)cc2n1.CC1(O)CCN(c2cc3nc(CCC(=O)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.[CH3-].[W]
InChIInChI=1S/C24H26F3N5O3.C23H24F3N5O4.CH3.W/c1-15(33)6-7-16-13-32-14-18(30-22(34)17-4-3-5-20(29-17)24(25,26)27)19(12-21(32)28-16)31-10-8-23(2,35)9-11-31;1-22(35)7-9-30(10-8-22)17-11-19-27-14(5-6-20(32)33)12-31(19)13-16(17)29-21(34)15-3-2-4-18(28-15)23(24,25)26;;/h3-5,12-14,35H,6-11H2,1-2H3,(H,30,34);2-4,11-13,35H,5-10H2,1H3,(H,29,34)(H,32,33);1H3;/q;;-1;
InChIKeyOQMFMVGYHRYLOC-UHFFFAOYSA-N
MW1179.84 g/mol
LogP7.69
Rot. Bonds12

About carbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten

carbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten (PubChem CID 165084962) has the molecular formula C48H53F6N10O7W- and a molecular weight of 1179.84 g/mol. Its IUPAC name is carbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten.

Molecular Properties

Compound Namecarbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten
PubChem CID165084962
Molecular FormulaC48H53F6N10O7W-
Molecular Weight1179.84 g/mol
Exact Mass1179.35
IUPAC Namecarbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten
SMILESCC(=O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCC(C)(O)CC3)cc2n1.CC1(O)CCN(c2cc3nc(CCC(=O)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.[CH3-].[W]
InChIInChI=1S/C24H26F3N5O3.C23H24F3N5O4.CH3.W/c1-15(33)6-7-16-13-32-14-18(30-22(34)17-4-3-5-20(29-17)24(25,26)27)19(12-21(32)28-16)31-10-8-23(2,35)9-11-31;1-22(35)7-9-30(10-8-22)17-11-19-27-14(5-6-20(32)33)12-31(19)13-16(17)29-21(34)15-3-2-4-18(28-15)23(24,25)26;;/h3-5,12-14,35H,6-11H2,1-2H3,(H,30,34);2-4,11-13,35H,5-10H2,1H3,(H,29,34)(H,32,33);1H3;/q;;-1;
InChIKeyOQMFMVGYHRYLOC-UHFFFAOYSA-N
XLogP7.69
TPSA219.89 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001179.84
LogP ≤ 57.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten with MolForge

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Related Compounds

6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998213
6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998216
6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998311
N-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998323
2-(3-Hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
CID 155167088
N-[7-(ethylaminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155176572
N-[7-(aminomethyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155176590
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylic acid
CID 156153012
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylic acid
CID 156153017
tert-butyl 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate
CID 156164166
4-(7-fluoroimidazo[1,2-a]pyrimidin-3-yl)-7-[[5-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156449551
4-(7-Fluoroimidazo[1,2-a]pyrimidin-3-yl)-7-[[5-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156449552

Frequently Asked Questions

What is the IUPAC name of carbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten?
The IUPAC name of carbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten (CID 165084962) is carbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten.
What is the SMILES notation for carbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten?
The canonical SMILES for carbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten is CC(=O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCC(C)(O)CC3)cc2n1.CC1(O)CCN(c2cc3nc(CCC(=O)O)cn3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.[CH3-].[W].
What is the InChIKey of carbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten?
The InChIKey is OQMFMVGYHRYLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3.C23H24F3N5O4.CH3.W/c1-15(33)6-7-16-13-32-14-18(30-22(34)17-4-3-5-20(29-17)24(25,26)27)19(12-21(32)28-16)31-10-8-23(2,35)9-11-31;1-22(35)7-9-30(10-8-22)17-11-19-27-14(5-6-20(32)33)12-31(19)13-16(17)29-21(34)15-3-2-4-18(28-15)23(24,25)26;;/h3-5,12-14,35H,6-11H2,1-2H3,(H,30,34);2-4,11-13,35H,5-10H2,1H3,(H,29,34)(H,32,33);1H3;/q;;-1;.
What are the key properties of carbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten?
carbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten has a molecular weight of 1179.84 g/mol, XLogP of 7.69, 12 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N-[7-(4-hydroxy-4-methylpiperidin-1-yl)-2-(3-oxobutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;tungsten is sourced from PubChem (CID 165084962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).