3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide

C28H30F2N6O4 — CID 134278289

IUPAC3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide
SMILESCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3c(C)c(OC(F)F)nn3C)[C@@H](c3ccccc3)C2)cn2c(C)cnc12
InChIInChI=1S/C28H30F2N6O4/c1-16-13-31-24-22(39-4)12-19(14-36(16)24)27(38)35-11-10-21(20(15-35)18-8-6-5-7-9-18)32-25(37)23-17(2)26(33-34(23)3)40-28(29)30/h5-9,12-14,20-21,28H,10-11,15H2,1-4H3,(H,32,37)/t20-,21-/m1/s1
InChIKeyJFIHPTHPLUQNCP-NHCUHLMSSA-N
MW552.58 g/mol
LogP3.72
Rot. Bonds7

About 3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide

3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide (PubChem CID 134278289) has the molecular formula C28H30F2N6O4 and a molecular weight of 552.58 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide
PubChem CID134278289
Molecular FormulaC28H30F2N6O4
Molecular Weight552.58 g/mol
Exact Mass552.23
IUPAC Name3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide
SMILESCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3c(C)c(OC(F)F)nn3C)[C@@H](c3ccccc3)C2)cn2c(C)cnc12
InChIInChI=1S/C28H30F2N6O4/c1-16-13-31-24-22(39-4)12-19(14-36(16)24)27(38)35-11-10-21(20(15-35)18-8-6-5-7-9-18)32-25(37)23-17(2)26(33-34(23)3)40-28(29)30/h5-9,12-14,20-21,28H,10-11,15H2,1-4H3,(H,32,37)/t20-,21-/m1/s1
InChIKeyJFIHPTHPLUQNCP-NHCUHLMSSA-N
XLogP3.72
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.58
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide (CID 134278289) is 3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide is COc1cc(C(=O)N2CC[C@@H](NC(=O)c3c(C)c(OC(F)F)nn3C)[C@@H](c3ccccc3)C2)cn2c(C)cnc12.
What is the InChIKey of 3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide?
The InChIKey is JFIHPTHPLUQNCP-NHCUHLMSSA-N. The full InChI is InChI=1S/C28H30F2N6O4/c1-16-13-31-24-22(39-4)12-19(14-36(16)24)27(38)35-11-10-21(20(15-35)18-8-6-5-7-9-18)32-25(37)23-17(2)26(33-34(23)3)40-28(29)30/h5-9,12-14,20-21,28H,10-11,15H2,1-4H3,(H,32,37)/t20-,21-/m1/s1.
What are the key properties of 3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide?
3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide has a molecular weight of 552.58 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 134278289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).