2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide

C40H45F3N6O4 — CID 167308915

IUPAC2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)Oc1cc2nc(C3CCC(CN4CCC(c5ccc(C6CCC(=O)NC6=O)cc5)CC4)CC3)cn2cc1C(=O)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C40H45F3N6O4/c1-24(2)53-33-20-36-44-32(23-49(36)22-31(33)39(52)46-35-5-3-4-34(45-35)40(41,42)43)29-8-6-25(7-9-29)21-48-18-16-27(17-19-48)26-10-12-28(13-11-26)30-14-15-37(50)47-38(30)51/h3-5,10-13,20,22-25,27,29-30H,6-9,14-19,21H2,1-2H3,(H,45,46,52)(H,47,50,51)
InChIKeyHTEIMDMZWNNNGE-UHFFFAOYSA-N
MW730.83 g/mol
LogP7.46
Rot. Bonds9

About 2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide

2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 167308915) has the molecular formula C40H45F3N6O4 and a molecular weight of 730.83 g/mol. Its IUPAC name is 2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID167308915
Molecular FormulaC40H45F3N6O4
Molecular Weight730.83 g/mol
Exact Mass730.35
IUPAC Name2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)Oc1cc2nc(C3CCC(CN4CCC(c5ccc(C6CCC(=O)NC6=O)cc5)CC4)CC3)cn2cc1C(=O)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C40H45F3N6O4/c1-24(2)53-33-20-36-44-32(23-49(36)22-31(33)39(52)46-35-5-3-4-34(45-35)40(41,42)43)29-8-6-25(7-9-29)21-48-18-16-27(17-19-48)26-10-12-28(13-11-26)30-14-15-37(50)47-38(30)51/h3-5,10-13,20,22-25,27,29-30H,6-9,14-19,21H2,1-2H3,(H,45,46,52)(H,47,50,51)
InChIKeyHTEIMDMZWNNNGE-UHFFFAOYSA-N
XLogP7.46
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.83
LogP ≤ 57.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[4-[[2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 59190453
US9718828, Example, 483
CID 71495585
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-[chloro(difluoro)methoxy]-2-pyridinyl]-3-fluorobenzamide
CID 162646181
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-ethoxy-2-pyridinyl)-3-fluorobenzamide
CID 162661097
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyloxy-2-pyridinyl)-3-fluorobenzamide
CID 76902943
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyloxy-2-pyridinyl)benzamide
CID 77105258
US9718828, Example, 478
CID 71225623
US9718828, Example, 481
CID 71226094
US9718828, Example, 418
CID 71226239
4-(8-amino-3-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)imidazo [1,5-a]pyrazin-1-yl)-N-(4-isopropoxypyridin-2-yl)benzamide
CID 76902180
US9718828, Example, 459
CID 124176803
N-[6-(difluoromethyl)-2-pyridinyl]-2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 155438787

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 167308915) is 2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide is CC(C)Oc1cc2nc(C3CCC(CN4CCC(c5ccc(C6CCC(=O)NC6=O)cc5)CC4)CC3)cn2cc1C(=O)Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is HTEIMDMZWNNNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H45F3N6O4/c1-24(2)53-33-20-36-44-32(23-49(36)22-31(33)39(52)46-35-5-3-4-34(45-35)40(41,42)43)29-8-6-25(7-9-29)21-48-18-16-27(17-19-48)26-10-12-28(13-11-26)30-14-15-37(50)47-38(30)51/h3-5,10-13,20,22-25,27,29-30H,6-9,14-19,21H2,1-2H3,(H,45,46,52)(H,47,50,51).
What are the key properties of 2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide?
2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 730.83 g/mol, XLogP of 7.46, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]methyl]cyclohexyl]-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 167308915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).