4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

C19H15ClFN5 — CID 173156483

IUPAC4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
SMILESC[C@H](Nc1ncc(F)c(-c2cnc3c(Cl)cccn23)n1)c1ccccc1
InChIInChI=1S/C19H15ClFN5/c1-12(13-6-3-2-4-7-13)24-19-23-10-15(21)17(25-19)16-11-22-18-14(20)8-5-9-26(16)18/h2-12H,1H3,(H,23,24,25)/t12-/m0/s1
InChIKeyIVAPTMDVIJWETD-LBPRGKRZSA-N
MW367.82 g/mol
LogP4.76
Rot. Bonds4

About 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-2-amine (PubChem CID 173156483) has the molecular formula C19H15ClFN5 and a molecular weight of 367.82 g/mol. Its IUPAC name is 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
PubChem CID173156483
Molecular FormulaC19H15ClFN5
Molecular Weight367.82 g/mol
Exact Mass367.10
IUPAC Name4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
SMILESC[C@H](Nc1ncc(F)c(-c2cnc3c(Cl)cccn23)n1)c1ccccc1
InChIInChI=1S/C19H15ClFN5/c1-12(13-6-3-2-4-7-13)24-19-23-10-15(21)17(25-19)16-11-22-18-14(20)8-5-9-26(16)18/h2-12H,1H3,(H,23,24,25)/t12-/m0/s1
InChIKeyIVAPTMDVIJWETD-LBPRGKRZSA-N
XLogP4.76
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.82
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The IUPAC name of 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-2-amine (CID 173156483) is 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The canonical SMILES for 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-2-amine is C[C@H](Nc1ncc(F)c(-c2cnc3c(Cl)cccn23)n1)c1ccccc1.
What is the InChIKey of 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The InChIKey is IVAPTMDVIJWETD-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H15ClFN5/c1-12(13-6-3-2-4-7-13)24-19-23-10-15(21)17(25-19)16-11-22-18-14(20)8-5-9-26(16)18/h2-12H,1H3,(H,23,24,25)/t12-/m0/s1.
What are the key properties of 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-2-amine has a molecular weight of 367.82 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-2-amine is sourced from PubChem (CID 173156483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).