1-(4,4-difluoropiperidin-1-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]imidazo[1,5-a]pyrazine-3-carboxamide

C18H25F2N5O — CID 54585090

IUPAC1-(4,4-difluoropiperidin-1-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]imidazo[1,5-a]pyrazine-3-carboxamide
SMILESC[C@@H](NC(=O)c1nc(N2CCC(F)(F)CC2)c2cnccn12)C(C)(C)C
InChIInChI=1S/C18H25F2N5O/c1-12(17(2,3)4)22-16(26)15-23-14(13-11-21-7-10-25(13)15)24-8-5-18(19,20)6-9-24/h7,10-12H,5-6,8-9H2,1-4H3,(H,22,26)/t12-/m1/s1
InChIKeyIFNYGHXKMOTXNI-GFCCVEGCSA-N
MW365.43 g/mol
LogP3.13
Rot. Bonds3

About 1-(4,4-difluoropiperidin-1-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]imidazo[1,5-a]pyrazine-3-carboxamide

1-(4,4-difluoropiperidin-1-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]imidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 54585090) has the molecular formula C18H25F2N5O and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]imidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]imidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID54585090
Molecular FormulaC18H25F2N5O
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]imidazo[1,5-a]pyrazine-3-carboxamide
SMILESC[C@@H](NC(=O)c1nc(N2CCC(F)(F)CC2)c2cnccn12)C(C)(C)C
InChIInChI=1S/C18H25F2N5O/c1-12(17(2,3)4)22-16(26)15-23-14(13-11-21-7-10-25(13)15)24-8-5-18(19,20)6-9-24/h7,10-12H,5-6,8-9H2,1-4H3,(H,22,26)/t12-/m1/s1
InChIKeyIFNYGHXKMOTXNI-GFCCVEGCSA-N
XLogP3.13
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]imidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]imidazo[1,5-a]pyrazine-3-carboxamide (CID 54585090) is 1-(4,4-difluoropiperidin-1-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]imidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]imidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]imidazo[1,5-a]pyrazine-3-carboxamide is C[C@@H](NC(=O)c1nc(N2CCC(F)(F)CC2)c2cnccn12)C(C)(C)C.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]imidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is IFNYGHXKMOTXNI-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25F2N5O/c1-12(17(2,3)4)22-16(26)15-23-14(13-11-21-7-10-25(13)15)24-8-5-18(19,20)6-9-24/h7,10-12H,5-6,8-9H2,1-4H3,(H,22,26)/t12-/m1/s1.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]imidazo[1,5-a]pyrazine-3-carboxamide?
1-(4,4-difluoropiperidin-1-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]imidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]imidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 54585090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).