1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea

C22H21ClF7N5O — CID 164536430

IUPAC1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]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(C)c1cc(-c2cc(F)c3nccn3c2)c(Cl)cn1
InChIInChI=1S/C22H21ClF7N5O/c1-3-35(20(36)33-18(22(28,29)30)4-5-21(25,26)27)12(2)17-9-14(15(23)10-32-17)13-8-16(24)19-31-6-7-34(19)11-13/h6-12,18H,3-5H2,1-2H3,(H,33,36)/t12?,18-/m0/s1
InChIKeyCNWMTWJJCGJYSJ-ZJFPTPTDSA-N
MW539.88 g/mol
LogP6.55
Rot. Bonds7

About 1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea

1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea (PubChem CID 164536430) has the molecular formula C22H21ClF7N5O and a molecular weight of 539.88 g/mol. Its IUPAC name is 1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea.

Molecular Properties

Compound Name1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea
PubChem CID164536430
Molecular FormulaC22H21ClF7N5O
Molecular Weight539.88 g/mol
Exact Mass539.13
IUPAC Name1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]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(C)c1cc(-c2cc(F)c3nccn3c2)c(Cl)cn1
InChIInChI=1S/C22H21ClF7N5O/c1-3-35(20(36)33-18(22(28,29)30)4-5-21(25,26)27)12(2)17-9-14(15(23)10-32-17)13-8-16(24)19-31-6-7-34(19)11-13/h6-12,18H,3-5H2,1-2H3,(H,33,36)/t12?,18-/m0/s1
InChIKeyCNWMTWJJCGJYSJ-ZJFPTPTDSA-N
XLogP6.55
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.88
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea with MolForge

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Related Compounds

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(2-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744107
(3-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744270
4-[2-(4-Chlorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
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CID 24745529
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}ethylamine
CID 24746214
Cyclopropyl{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea?
The IUPAC name of 1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea (CID 164536430) is 1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea.
What is the SMILES notation for 1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea?
The canonical SMILES for 1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]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(C)c1cc(-c2cc(F)c3nccn3c2)c(Cl)cn1.
What is the InChIKey of 1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea?
The InChIKey is CNWMTWJJCGJYSJ-ZJFPTPTDSA-N. The full InChI is InChI=1S/C22H21ClF7N5O/c1-3-35(20(36)33-18(22(28,29)30)4-5-21(25,26)27)12(2)17-9-14(15(23)10-32-17)13-8-16(24)19-31-6-7-34(19)11-13/h6-12,18H,3-5H2,1-2H3,(H,33,36)/t12?,18-/m0/s1.
What are the key properties of 1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea?
1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea has a molecular weight of 539.88 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]ethyl]-1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]urea is sourced from PubChem (CID 164536430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).