6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide

C20H19F2N5O2 — CID 154655267

IUPAC6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cn2cc(C3CC4(CCOC4)C3)nc2cn1)c1cccc(C(F)F)n1
InChIInChI=1S/C20H19F2N5O2/c21-18(22)13-2-1-3-14(24-13)19(28)26-16-10-27-9-15(25-17(27)8-23-16)12-6-20(7-12)4-5-29-11-20/h1-3,8-10,12,18H,4-7,11H2,(H,26,28)
InChIKeyUZTLKIUMJDHTEK-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.60
Rot. Bonds4

About 6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide (PubChem CID 154655267) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide
PubChem CID154655267
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cn2cc(C3CC4(CCOC4)C3)nc2cn1)c1cccc(C(F)F)n1
InChIInChI=1S/C20H19F2N5O2/c21-18(22)13-2-1-3-14(24-13)19(28)26-16-10-27-9-15(25-17(27)8-23-16)12-6-20(7-12)4-5-29-11-20/h1-3,8-10,12,18H,4-7,11H2,(H,26,28)
InChIKeyUZTLKIUMJDHTEK-UHFFFAOYSA-N
XLogP3.60
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide (CID 154655267) is 6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide is O=C(Nc1cn2cc(C3CC4(CCOC4)C3)nc2cn1)c1cccc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide?
The InChIKey is UZTLKIUMJDHTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c21-18(22)13-2-1-3-14(24-13)19(28)26-16-10-27-9-15(25-17(27)8-23-16)12-6-20(7-12)4-5-29-11-20/h1-3,8-10,12,18H,4-7,11H2,(H,26,28).
What are the key properties of 6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154655267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).