3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea

C26H33F2N5O3 — CID 164536685

IUPAC3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea
SMILESCC[C@@H](NC(=O)N(CC)[C@H](C)c1cccc(-c2cn3ccnc3c(OC)n2)c1)C1CC(F)(F)CCO1
InChIInChI=1S/C26H33F2N5O3/c1-5-20(22-15-26(27,28)10-13-36-22)31-25(34)33(6-2)17(3)18-8-7-9-19(14-18)21-16-32-12-11-29-23(32)24(30-21)35-4/h7-9,11-12,14,16-17,20,22H,5-6,10,13,15H2,1-4H3,(H,31,34)/t17-,20-,22?/m1/s1
InChIKeyBFODNMSNJKVNLT-IKQMYLSPSA-N
MW501.58 g/mol
LogP5.09
Rot. Bonds8

About 3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea

3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea (PubChem CID 164536685) has the molecular formula C26H33F2N5O3 and a molecular weight of 501.58 g/mol. Its IUPAC name is 3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea.

Molecular Properties

Compound Name3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea
PubChem CID164536685
Molecular FormulaC26H33F2N5O3
Molecular Weight501.58 g/mol
Exact Mass501.26
IUPAC Name3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea
SMILESCC[C@@H](NC(=O)N(CC)[C@H](C)c1cccc(-c2cn3ccnc3c(OC)n2)c1)C1CC(F)(F)CCO1
InChIInChI=1S/C26H33F2N5O3/c1-5-20(22-15-26(27,28)10-13-36-22)31-25(34)33(6-2)17(3)18-8-7-9-19(14-18)21-16-32-12-11-29-23(32)24(30-21)35-4/h7-9,11-12,14,16-17,20,22H,5-6,10,13,15H2,1-4H3,(H,31,34)/t17-,20-,22?/m1/s1
InChIKeyBFODNMSNJKVNLT-IKQMYLSPSA-N
XLogP5.09
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.58
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea 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-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea?
The IUPAC name of 3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea (CID 164536685) is 3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea.
What is the SMILES notation for 3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea?
The canonical SMILES for 3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea is CC[C@@H](NC(=O)N(CC)[C@H](C)c1cccc(-c2cn3ccnc3c(OC)n2)c1)C1CC(F)(F)CCO1.
What is the InChIKey of 3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea?
The InChIKey is BFODNMSNJKVNLT-IKQMYLSPSA-N. The full InChI is InChI=1S/C26H33F2N5O3/c1-5-20(22-15-26(27,28)10-13-36-22)31-25(34)33(6-2)17(3)18-8-7-9-19(14-18)21-16-32-12-11-29-23(32)24(30-21)35-4/h7-9,11-12,14,16-17,20,22H,5-6,10,13,15H2,1-4H3,(H,31,34)/t17-,20-,22?/m1/s1.
What are the key properties of 3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea?
3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea has a molecular weight of 501.58 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea is sourced from PubChem (CID 164536685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).