3-morpholin-4-yl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide

C18H25F3N4O2 — CID 90934227

IUPAC3-morpholin-4-yl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)C1=C2C=CC=CN2C(N2CCOCC2)N1)C(F)(F)F
InChIInChI=1S/C18H25F3N4O2/c1-17(2,3)15(18(19,20)21)23-14(26)13-12-6-4-5-7-25(12)16(22-13)24-8-10-27-11-9-24/h4-7,15-16,22H,8-11H2,1-3H3,(H,23,26)/t15-,16?/m0/s1
InChIKeyOIHGKAFMHBUTTM-VYRBHSGPSA-N
MW386.42 g/mol
LogP1.90
Rot. Bonds3

About 3-morpholin-4-yl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide

3-morpholin-4-yl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 90934227) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID90934227
Molecular FormulaC18H25F3N4O2
Molecular Weight386.42 g/mol
Exact Mass386.19
IUPAC Name3-morpholin-4-yl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)C1=C2C=CC=CN2C(N2CCOCC2)N1)C(F)(F)F
InChIInChI=1S/C18H25F3N4O2/c1-17(2,3)15(18(19,20)21)23-14(26)13-12-6-4-5-7-25(12)16(22-13)24-8-10-27-11-9-24/h4-7,15-16,22H,8-11H2,1-3H3,(H,23,26)/t15-,16?/m0/s1
InChIKeyOIHGKAFMHBUTTM-VYRBHSGPSA-N
XLogP1.90
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-morpholin-4-yl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide (CID 90934227) is 3-morpholin-4-yl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-morpholin-4-yl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide is CC(C)(C)[C@H](NC(=O)C1=C2C=CC=CN2C(N2CCOCC2)N1)C(F)(F)F.
What is the InChIKey of 3-morpholin-4-yl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is OIHGKAFMHBUTTM-VYRBHSGPSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c1-17(2,3)15(18(19,20)21)23-14(26)13-12-6-4-5-7-25(12)16(22-13)24-8-10-27-11-9-24/h4-7,15-16,22H,8-11H2,1-3H3,(H,23,26)/t15-,16?/m0/s1.
What are the key properties of 3-morpholin-4-yl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
3-morpholin-4-yl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 90934227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).