[3-[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol

C21H18FN5O — CID 162395462

IUPAC[3-[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(-c4nc(NC5CC5)ncc4F)n3c2)c1
InChIInChI=1S/C21H18FN5O/c22-17-9-24-21(25-16-5-6-16)26-20(17)18-10-23-19-7-4-15(11-27(18)19)14-3-1-2-13(8-14)12-28/h1-4,7-11,16,28H,5-6,12H2,(H,24,25,26)
InChIKeyYWJOANWTDWDVNM-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.66
Rot. Bonds5

About [3-[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol

[3-[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol (PubChem CID 162395462) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is [3-[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
PubChem CID162395462
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name[3-[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(-c4nc(NC5CC5)ncc4F)n3c2)c1
InChIInChI=1S/C21H18FN5O/c22-17-9-24-21(25-16-5-6-16)26-20(17)18-10-23-19-7-4-15(11-27(18)19)14-3-1-2-13(8-14)12-28/h1-4,7-11,16,28H,5-6,12H2,(H,24,25,26)
InChIKeyYWJOANWTDWDVNM-UHFFFAOYSA-N
XLogP3.66
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol?
The IUPAC name of [3-[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol (CID 162395462) is [3-[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol.
What is the SMILES notation for [3-[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol?
The canonical SMILES for [3-[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol is OCc1cccc(-c2ccc3ncc(-c4nc(NC5CC5)ncc4F)n3c2)c1.
What is the InChIKey of [3-[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol?
The InChIKey is YWJOANWTDWDVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c22-17-9-24-21(25-16-5-6-16)26-20(17)18-10-23-19-7-4-15(11-27(18)19)14-3-1-2-13(8-14)12-28/h1-4,7-11,16,28H,5-6,12H2,(H,24,25,26).
What are the key properties of [3-[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol?
[3-[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol has a molecular weight of 375.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[2-(cyclopropylamino)-5-fluoropyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol is sourced from PubChem (CID 162395462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).