2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol

C24H25FN6O — CID 24887419

IUPAC2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CCN(CCO)CC4)ccn23)n1
InChIInChI=1S/C24H25FN6O/c25-19-3-1-17(2-4-19)22-23(20-5-9-27-24(26)28-20)31-12-8-18(15-21(31)29-22)16-6-10-30(11-7-16)13-14-32/h1-5,8-9,12,15-16,32H,6-7,10-11,13-14H2,(H2,26,27,28)
InChIKeyBQPDRJHMQWGRNN-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.35
Rot. Bonds5

About 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol

2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol (PubChem CID 24887419) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol
PubChem CID24887419
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CCN(CCO)CC4)ccn23)n1
InChIInChI=1S/C24H25FN6O/c25-19-3-1-17(2-4-19)22-23(20-5-9-27-24(26)28-20)31-12-8-18(15-21(31)29-22)16-6-10-30(11-7-16)13-14-32/h1-5,8-9,12,15-16,32H,6-7,10-11,13-14H2,(H2,26,27,28)
InChIKeyBQPDRJHMQWGRNN-UHFFFAOYSA-N
XLogP3.35
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol (CID 24887419) is 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol is Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CCN(CCO)CC4)ccn23)n1.
What is the InChIKey of 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol?
The InChIKey is BQPDRJHMQWGRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c25-19-3-1-17(2-4-19)22-23(20-5-9-27-24(26)28-20)31-12-8-18(15-21(31)29-22)16-6-10-30(11-7-16)13-14-32/h1-5,8-9,12,15-16,32H,6-7,10-11,13-14H2,(H2,26,27,28).
What are the key properties of 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol?
2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol has a molecular weight of 432.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 24887419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).