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

C28H30F2N6O3 — CID 134278799

IUPAC2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(C)nn3CC(F)F)[C@@H](c3ccccc3)C2)cn2c(C)cnc12
InChIInChI=1S/C28H30F2N6O3/c1-17-11-23(36(33-17)16-25(29)30)27(37)32-22-9-10-34(15-21(22)19-7-5-4-6-8-19)28(38)20-12-24(39-3)26-31-13-18(2)35(26)14-20/h4-8,11-14,21-22,25H,9-10,15-16H2,1-3H3,(H,32,37)/t21-,22-/m1/s1
InChIKeyNZZNBNYKSGJOLI-FGZHOGPDSA-N
MW536.58 g/mol
LogP3.85
Rot. Bonds7

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

2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide (PubChem CID 134278799) has the molecular formula C28H30F2N6O3 and a molecular weight of 536.58 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide
PubChem CID134278799
Molecular FormulaC28H30F2N6O3
Molecular Weight536.58 g/mol
Exact Mass536.23
IUPAC Name2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(C)nn3CC(F)F)[C@@H](c3ccccc3)C2)cn2c(C)cnc12
InChIInChI=1S/C28H30F2N6O3/c1-17-11-23(36(33-17)16-25(29)30)27(37)32-22-9-10-34(15-21(22)19-7-5-4-6-8-19)28(38)20-12-24(39-3)26-31-13-18(2)35(26)14-20/h4-8,11-14,21-22,25H,9-10,15-16H2,1-3H3,(H,32,37)/t21-,22-/m1/s1
InChIKeyNZZNBNYKSGJOLI-FGZHOGPDSA-N
XLogP3.85
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.58
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide (CID 134278799) is 2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide is COc1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(C)nn3CC(F)F)[C@@H](c3ccccc3)C2)cn2c(C)cnc12.
What is the InChIKey of 2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide?
The InChIKey is NZZNBNYKSGJOLI-FGZHOGPDSA-N. The full InChI is InChI=1S/C28H30F2N6O3/c1-17-11-23(36(33-17)16-25(29)30)27(37)32-22-9-10-34(15-21(22)19-7-5-4-6-8-19)28(38)20-12-24(39-3)26-31-13-18(2)35(26)14-20/h4-8,11-14,21-22,25H,9-10,15-16H2,1-3H3,(H,32,37)/t21-,22-/m1/s1.
What are the key properties of 2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide?
2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide has a molecular weight of 536.58 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 134278799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).