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

C24H26ClFN6O — CID 67313567

IUPAC(1S)-1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC[C@@H](O)c1ccc([C@H](C)Nc2ncc(F)c(-c3cnc4c(Cl)cccn34)n2)cc1
InChIInChI=1S/C24H26ClFN6O/c1-14(2)27-13-21(33)17-8-6-16(7-9-17)15(3)30-24-29-11-19(26)22(31-24)20-12-28-23-18(25)5-4-10-32(20)23/h4-12,14-15,21,27,33H,13H2,1-3H3,(H,29,30,31)/t15-,21+/m0/s1
InChIKeyFHEPQHPMOMRMEW-YCRPNKLZSA-N
MW468.96 g/mol
LogP4.79
Rot. Bonds8

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

(1S)-1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(propan-2-ylamino)ethanol (PubChem CID 67313567) has the molecular formula C24H26ClFN6O and a molecular weight of 468.96 g/mol. Its IUPAC name is (1S)-1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(propan-2-ylamino)ethanol
PubChem CID67313567
Molecular FormulaC24H26ClFN6O
Molecular Weight468.96 g/mol
Exact Mass468.18
IUPAC Name(1S)-1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC[C@@H](O)c1ccc([C@H](C)Nc2ncc(F)c(-c3cnc4c(Cl)cccn34)n2)cc1
InChIInChI=1S/C24H26ClFN6O/c1-14(2)27-13-21(33)17-8-6-16(7-9-17)15(3)30-24-29-11-19(26)22(31-24)20-12-28-23-18(25)5-4-10-32(20)23/h4-12,14-15,21,27,33H,13H2,1-3H3,(H,29,30,31)/t15-,21+/m0/s1
InChIKeyFHEPQHPMOMRMEW-YCRPNKLZSA-N
XLogP4.79
TPSA87.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
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

Analyze (1S)-1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(propan-2-ylamino)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(propan-2-ylamino)ethanol?
The IUPAC name of (1S)-1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(propan-2-ylamino)ethanol (CID 67313567) is (1S)-1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for (1S)-1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(propan-2-ylamino)ethanol?
The canonical SMILES for (1S)-1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(propan-2-ylamino)ethanol is CC(C)NC[C@@H](O)c1ccc([C@H](C)Nc2ncc(F)c(-c3cnc4c(Cl)cccn34)n2)cc1.
What is the InChIKey of (1S)-1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(propan-2-ylamino)ethanol?
The InChIKey is FHEPQHPMOMRMEW-YCRPNKLZSA-N. The full InChI is InChI=1S/C24H26ClFN6O/c1-14(2)27-13-21(33)17-8-6-16(7-9-17)15(3)30-24-29-11-19(26)22(31-24)20-12-28-23-18(25)5-4-10-32(20)23/h4-12,14-15,21,27,33H,13H2,1-3H3,(H,29,30,31)/t15-,21+/m0/s1.
What are the key properties of (1S)-1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(propan-2-ylamino)ethanol?
(1S)-1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(propan-2-ylamino)ethanol has a molecular weight of 468.96 g/mol, XLogP of 4.79, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(1S)-1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]ethyl]phenyl]-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 67313567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).