3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide

C28H34F5N7O3 — CID 177107917

IUPAC3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)n1nc([C@@H](COC(C)(C)C(F)(F)F)c2nc3ccc([C@@H](C4CC4)N4CC(F)(F)CNC4=O)cc3[nH]2)cc1C(N)=O
InChIInChI=1S/C28H34F5N7O3/c1-14(2)40-21(23(34)41)10-19(38-40)17(11-43-26(3,4)28(31,32)33)24-36-18-8-7-16(9-20(18)37-24)22(15-5-6-15)39-13-27(29,30)12-35-25(39)42/h7-10,14-15,17,22H,5-6,11-13H2,1-4H3,(H2,34,41)(H,35,42)(H,36,37)/t17-,22-/m1/s1
InChIKeyWODUACABEHWMHE-VGOFRKELSA-N
MW611.62 g/mol
LogP5.04
Rot. Bonds10

About 3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide

3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide (PubChem CID 177107917) has the molecular formula C28H34F5N7O3 and a molecular weight of 611.62 g/mol. Its IUPAC name is 3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide
PubChem CID177107917
Molecular FormulaC28H34F5N7O3
Molecular Weight611.62 g/mol
Exact Mass611.26
IUPAC Name3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)n1nc([C@@H](COC(C)(C)C(F)(F)F)c2nc3ccc([C@@H](C4CC4)N4CC(F)(F)CNC4=O)cc3[nH]2)cc1C(N)=O
InChIInChI=1S/C28H34F5N7O3/c1-14(2)40-21(23(34)41)10-19(38-40)17(11-43-26(3,4)28(31,32)33)24-36-18-8-7-16(9-20(18)37-24)22(15-5-6-15)39-13-27(29,30)12-35-25(39)42/h7-10,14-15,17,22H,5-6,11-13H2,1-4H3,(H2,34,41)(H,35,42)(H,36,37)/t17-,22-/m1/s1
InChIKeyWODUACABEHWMHE-VGOFRKELSA-N
XLogP5.04
TPSA131.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.62
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide 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 3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide (CID 177107917) is 3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide is CC(C)n1nc([C@@H](COC(C)(C)C(F)(F)F)c2nc3ccc([C@@H](C4CC4)N4CC(F)(F)CNC4=O)cc3[nH]2)cc1C(N)=O.
What is the InChIKey of 3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is WODUACABEHWMHE-VGOFRKELSA-N. The full InChI is InChI=1S/C28H34F5N7O3/c1-14(2)40-21(23(34)41)10-19(38-40)17(11-43-26(3,4)28(31,32)33)24-36-18-8-7-16(9-20(18)37-24)22(15-5-6-15)39-13-27(29,30)12-35-25(39)42/h7-10,14-15,17,22H,5-6,11-13H2,1-4H3,(H2,34,41)(H,35,42)(H,36,37)/t17-,22-/m1/s1.
What are the key properties of 3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide?
3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 611.62 g/mol, XLogP of 5.04, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[6-[(R)-cyclopropyl-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)methyl]-1H-benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 177107917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).