1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-methyl-2-(methylamino)propan-1-ol

C24H26ClFN6O — CID 67314144

IUPAC1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-methyl-2-(methylamino)propan-1-ol
SMILESCNC(C)(C)C(O)c1ccc([C@H](C)Nc2ncc(F)c(-c3cnc4c(Cl)cccn34)n2)cc1
InChIInChI=1S/C24H26ClFN6O/c1-14(15-7-9-16(10-8-15)21(33)24(2,3)27-4)30-23-29-12-18(26)20(31-23)19-13-28-22-17(25)6-5-11-32(19)22/h5-14,21,27,33H,1-4H3,(H,29,30,31)/t14-,21?/m0/s1
InChIKeyAIOHVXDDAJTYHI-YXWRBFHGSA-N
MW468.96 g/mol
LogP4.79
Rot. Bonds7

About 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-methyl-2-(methylamino)propan-1-ol

1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-methyl-2-(methylamino)propan-1-ol (PubChem CID 67314144) has the molecular formula C24H26ClFN6O and a molecular weight of 468.96 g/mol. Its IUPAC name is 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-methyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-methyl-2-(methylamino)propan-1-ol
PubChem CID67314144
Molecular FormulaC24H26ClFN6O
Molecular Weight468.96 g/mol
Exact Mass468.18
IUPAC Name1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-methyl-2-(methylamino)propan-1-ol
SMILESCNC(C)(C)C(O)c1ccc([C@H](C)Nc2ncc(F)c(-c3cnc4c(Cl)cccn34)n2)cc1
InChIInChI=1S/C24H26ClFN6O/c1-14(15-7-9-16(10-8-15)21(33)24(2,3)27-4)30-23-29-12-18(26)20(31-23)19-13-28-22-17(25)6-5-11-32(19)22/h5-14,21,27,33H,1-4H3,(H,29,30,31)/t14-,21?/m0/s1
InChIKeyAIOHVXDDAJTYHI-YXWRBFHGSA-N
XLogP4.79
TPSA87.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-methyl-2-(methylamino)propan-1-ol?
The IUPAC name of 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-methyl-2-(methylamino)propan-1-ol (CID 67314144) is 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-methyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-methyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-methyl-2-(methylamino)propan-1-ol is CNC(C)(C)C(O)c1ccc([C@H](C)Nc2ncc(F)c(-c3cnc4c(Cl)cccn34)n2)cc1.
What is the InChIKey of 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-methyl-2-(methylamino)propan-1-ol?
The InChIKey is AIOHVXDDAJTYHI-YXWRBFHGSA-N. The full InChI is InChI=1S/C24H26ClFN6O/c1-14(15-7-9-16(10-8-15)21(33)24(2,3)27-4)30-23-29-12-18(26)20(31-23)19-13-28-22-17(25)6-5-11-32(19)22/h5-14,21,27,33H,1-4H3,(H,29,30,31)/t14-,21?/m0/s1.
What are the key properties of 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-methyl-2-(methylamino)propan-1-ol?
1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-methyl-2-(methylamino)propan-1-ol has a molecular weight of 468.96 g/mol, XLogP of 4.79, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-methyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 67314144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).