1-[(1R)-1-[3-(3-chloro-8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea

C24H25ClF6N4O2 — CID 164536360

IUPAC1-[(1R)-1-[3-(3-chloro-8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea
SMILESCCN(C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F)[C@H](C)c1cccc(-c2cc(OC)c3ncc(Cl)n3c2)c1
InChIInChI=1S/C24H25ClF6N4O2/c1-4-34(22(36)33-19(24(29,30)31)8-9-23(26,27)28)14(2)15-6-5-7-16(10-15)17-11-18(37-3)21-32-12-20(25)35(21)13-17/h5-7,10-14,19H,4,8-9H2,1-3H3,(H,33,36)/t14-,19+/m1/s1
InChIKeyUCRYSHHYUHKRSO-KUHUBIRLSA-N
MW550.93 g/mol
LogP7.03
Rot. Bonds8

About 1-[(1R)-1-[3-(3-chloro-8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea

1-[(1R)-1-[3-(3-chloro-8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea (PubChem CID 164536360) has the molecular formula C24H25ClF6N4O2 and a molecular weight of 550.93 g/mol. Its IUPAC name is 1-[(1R)-1-[3-(3-chloro-8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-[3-(3-chloro-8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea
PubChem CID164536360
Molecular FormulaC24H25ClF6N4O2
Molecular Weight550.93 g/mol
Exact Mass550.16
IUPAC Name1-[(1R)-1-[3-(3-chloro-8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea
SMILESCCN(C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F)[C@H](C)c1cccc(-c2cc(OC)c3ncc(Cl)n3c2)c1
InChIInChI=1S/C24H25ClF6N4O2/c1-4-34(22(36)33-19(24(29,30)31)8-9-23(26,27)28)14(2)15-6-5-7-16(10-15)17-11-18(37-3)21-32-12-20(25)35(21)13-17/h5-7,10-14,19H,4,8-9H2,1-3H3,(H,33,36)/t14-,19+/m1/s1
InChIKeyUCRYSHHYUHKRSO-KUHUBIRLSA-N
XLogP7.03
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.93
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-(3-chloro-8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea?
The IUPAC name of 1-[(1R)-1-[3-(3-chloro-8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea (CID 164536360) is 1-[(1R)-1-[3-(3-chloro-8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea.
What is the SMILES notation for 1-[(1R)-1-[3-(3-chloro-8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea?
The canonical SMILES for 1-[(1R)-1-[3-(3-chloro-8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea is CCN(C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F)[C@H](C)c1cccc(-c2cc(OC)c3ncc(Cl)n3c2)c1.
What is the InChIKey of 1-[(1R)-1-[3-(3-chloro-8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea?
The InChIKey is UCRYSHHYUHKRSO-KUHUBIRLSA-N. The full InChI is InChI=1S/C24H25ClF6N4O2/c1-4-34(22(36)33-19(24(29,30)31)8-9-23(26,27)28)14(2)15-6-5-7-16(10-15)17-11-18(37-3)21-32-12-20(25)35(21)13-17/h5-7,10-14,19H,4,8-9H2,1-3H3,(H,33,36)/t14-,19+/m1/s1.
What are the key properties of 1-[(1R)-1-[3-(3-chloro-8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea?
1-[(1R)-1-[3-(3-chloro-8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea has a molecular weight of 550.93 g/mol, XLogP of 7.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[3-(3-chloro-8-methoxyimidazo[1,2-a]pyridin-6-yl)phenyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea is sourced from PubChem (CID 164536360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).