(2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide

C25H26F3N9O4 — CID 162575159

IUPAC(2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide
SMILESCc1cc(CNC(=O)N(C)C2=C(C=O)N([C@@H](C)C(=O)Nc3cncc(-c4cnc(C(F)(F)F)c(C)c4)n3)CN2)no1
InChIInChI=1S/C25H26F3N9O4/c1-13-5-16(7-30-21(13)25(26,27)28)18-9-29-10-20(33-18)34-23(39)15(3)37-12-32-22(19(37)11-38)36(4)24(40)31-8-17-6-14(2)41-35-17/h5-7,9-11,15,32H,8,12H2,1-4H3,(H,31,40)(H,33,34,39)/t15-/m0/s1
InChIKeyNSYNOCAKTUSERD-HNNXBMFYSA-N
MW573.54 g/mol
LogP2.56
Rot. Bonds8

About (2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide

(2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide (PubChem CID 162575159) has the molecular formula C25H26F3N9O4 and a molecular weight of 573.54 g/mol. Its IUPAC name is (2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide
PubChem CID162575159
Molecular FormulaC25H26F3N9O4
Molecular Weight573.54 g/mol
Exact Mass573.21
IUPAC Name(2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide
SMILESCc1cc(CNC(=O)N(C)C2=C(C=O)N([C@@H](C)C(=O)Nc3cncc(-c4cnc(C(F)(F)F)c(C)c4)n3)CN2)no1
InChIInChI=1S/C25H26F3N9O4/c1-13-5-16(7-30-21(13)25(26,27)28)18-9-29-10-20(33-18)34-23(39)15(3)37-12-32-22(19(37)11-38)36(4)24(40)31-8-17-6-14(2)41-35-17/h5-7,9-11,15,32H,8,12H2,1-4H3,(H,31,40)(H,33,34,39)/t15-/m0/s1
InChIKeyNSYNOCAKTUSERD-HNNXBMFYSA-N
XLogP2.56
TPSA158.48 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.54
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide?
The IUPAC name of (2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide (CID 162575159) is (2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide?
The canonical SMILES for (2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide is Cc1cc(CNC(=O)N(C)C2=C(C=O)N([C@@H](C)C(=O)Nc3cncc(-c4cnc(C(F)(F)F)c(C)c4)n3)CN2)no1.
What is the InChIKey of (2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide?
The InChIKey is NSYNOCAKTUSERD-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H26F3N9O4/c1-13-5-16(7-30-21(13)25(26,27)28)18-9-29-10-20(33-18)34-23(39)15(3)37-12-32-22(19(37)11-38)36(4)24(40)31-8-17-6-14(2)41-35-17/h5-7,9-11,15,32H,8,12H2,1-4H3,(H,31,40)(H,33,34,39)/t15-/m0/s1.
What are the key properties of (2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide?
(2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide has a molecular weight of 573.54 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-formyl-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]amino]-1,2-dihydroimidazol-3-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide is sourced from PubChem (CID 162575159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).