1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate

C21H27F6N5O4 — CID 142538479

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCN(C(=O)c1cn2c(n1)CN(C1COC1)CC2)C1(C)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C21H27F6N5O4/c1-19(3-5-30(6-4-19)18(34)36-17(20(22,23)24)21(25,26)27)29(2)16(33)14-9-32-8-7-31(10-15(32)28-14)13-11-35-12-13/h9,13,17H,3-8,10-12H2,1-2H3
InChIKeyAMQCAZHLYAXAIR-UHFFFAOYSA-N
MW527.47 g/mol
LogP2.65
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 142538479) has the molecular formula C21H27F6N5O4 and a molecular weight of 527.47 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID142538479
Molecular FormulaC21H27F6N5O4
Molecular Weight527.47 g/mol
Exact Mass527.20
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCN(C(=O)c1cn2c(n1)CN(C1COC1)CC2)C1(C)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C21H27F6N5O4/c1-19(3-5-30(6-4-19)18(34)36-17(20(22,23)24)21(25,26)27)29(2)16(33)14-9-32-8-7-31(10-15(32)28-14)13-11-35-12-13/h9,13,17H,3-8,10-12H2,1-2H3
InChIKeyAMQCAZHLYAXAIR-UHFFFAOYSA-N
XLogP2.65
TPSA80.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11142526, Example 23
CID 135384266
US11142526, Example 186
CID 137530763
US11142526, Example 22
CID 137532937
US11142526, Example 1
CID 137532946
US11142526, Example 10
CID 137532962
US11142526, Example 18
CID 137532967
US11142526, Example 181
CID 137532984
US11142526, Example 24
CID 137533022
US11142526, Example 192
CID 137533048
US11142526, Example 190
CID 137533052
US11142526, Example 2
CID 137533057
US11142526, Example 184
CID 137533060

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate (CID 142538479) is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate is CN(C(=O)c1cn2c(n1)CN(C1COC1)CC2)C1(C)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is AMQCAZHLYAXAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F6N5O4/c1-19(3-5-30(6-4-19)18(34)36-17(20(22,23)24)21(25,26)27)29(2)16(33)14-9-32-8-7-31(10-15(32)28-14)13-11-35-12-13/h9,13,17H,3-8,10-12H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate?
1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 527.47 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 142538479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).