N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide

C22H23F2N5O3 — CID 155437004

IUPACN-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCCOc1nc(C(=O)Nc2cccc(C(F)F)n2)cn2cc([C@@]34CC[C@@](C)(C3)OC4)nc12
InChIInChI=1S/C22H23F2N5O3/c1-3-31-20-18-27-15(22-8-7-21(2,11-22)32-12-22)10-29(18)9-14(26-20)19(30)28-16-6-4-5-13(25-16)17(23)24/h4-6,9-10,17H,3,7-8,11-12H2,1-2H3,(H,25,28,30)/t21-,22-/m0/s1
InChIKeyLZRNKYPRZRCUDH-VXKWHMMOSA-N
MW443.45 g/mol
LogP3.92
Rot. Bonds6

About N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide

N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 155437004) has the molecular formula C22H23F2N5O3 and a molecular weight of 443.45 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID155437004
Molecular FormulaC22H23F2N5O3
Molecular Weight443.45 g/mol
Exact Mass443.18
IUPAC NameN-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCCOc1nc(C(=O)Nc2cccc(C(F)F)n2)cn2cc([C@@]34CC[C@@](C)(C3)OC4)nc12
InChIInChI=1S/C22H23F2N5O3/c1-3-31-20-18-27-15(22-8-7-21(2,11-22)32-12-22)10-29(18)9-14(26-20)19(30)28-16-6-4-5-13(25-16)17(23)24/h4-6,9-10,17H,3,7-8,11-12H2,1-2H3,(H,25,28,30)/t21-,22-/m0/s1
InChIKeyLZRNKYPRZRCUDH-VXKWHMMOSA-N
XLogP3.92
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 155437004) is N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide is CCOc1nc(C(=O)Nc2cccc(C(F)F)n2)cn2cc([C@@]34CC[C@@](C)(C3)OC4)nc12.
What is the InChIKey of N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is LZRNKYPRZRCUDH-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H23F2N5O3/c1-3-31-20-18-27-15(22-8-7-21(2,11-22)32-12-22)10-29(18)9-14(26-20)19(30)28-16-6-4-5-13(25-16)17(23)24/h4-6,9-10,17H,3,7-8,11-12H2,1-2H3,(H,25,28,30)/t21-,22-/m0/s1.
What are the key properties of N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 443.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 155437004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).