6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide

C21H21F2N5O3 — CID 154655134

IUPAC6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide
SMILESCOc1nc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CC34CCOCC4)nc12
InChIInChI=1S/C21H21F2N5O3/c1-30-20-18-25-15(12-9-21(12)5-7-31-8-6-21)10-28(18)11-16(27-20)26-19(29)14-4-2-3-13(24-14)17(22)23/h2-4,10-12,17H,5-9H2,1H3,(H,26,29)
InChIKeyCEHPHKUHAZYKAL-UHFFFAOYSA-N
MW429.43 g/mol
LogP3.61
Rot. Bonds5

About 6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide (PubChem CID 154655134) has the molecular formula C21H21F2N5O3 and a molecular weight of 429.43 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide
PubChem CID154655134
Molecular FormulaC21H21F2N5O3
Molecular Weight429.43 g/mol
Exact Mass429.16
IUPAC Name6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide
SMILESCOc1nc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CC34CCOCC4)nc12
InChIInChI=1S/C21H21F2N5O3/c1-30-20-18-25-15(12-9-21(12)5-7-31-8-6-21)10-28(18)11-16(27-20)26-19(29)14-4-2-3-13(24-14)17(22)23/h2-4,10-12,17H,5-9H2,1H3,(H,26,29)
InChIKeyCEHPHKUHAZYKAL-UHFFFAOYSA-N
XLogP3.61
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide (CID 154655134) is 6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide is COc1nc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CC34CCOCC4)nc12.
What is the InChIKey of 6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide?
The InChIKey is CEHPHKUHAZYKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O3/c1-30-20-18-25-15(12-9-21(12)5-7-31-8-6-21)10-28(18)11-16(27-20)26-19(29)14-4-2-3-13(24-14)17(22)23/h2-4,10-12,17H,5-9H2,1H3,(H,26,29).
What are the key properties of 6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154655134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).