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

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

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Related Compounds

4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1H-imidazol-2-yl)-3-butyn-1-ol
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(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
CID 10224714
Gsk-3494245
CID 126571915
Ethanone, 1-(7,8-dihydro-2-((9-(trans-4-methylcyclohexyl)-9H-pyrido(4',3':4,5)pyrrolo(2,3-d)pyrimidin-2-yl)amino)-1,6-naphthyridin-6(5H)-yl)-2-hydroxy-
CID 60202647
(2S)-1-({4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}amino)propan-2-ol
CID 9863786
Bay-41-8543
CID 9953906
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
3-(4-(4-Fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl)propan-1-ol
CID 132496692
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860
Elenestinib
CID 155190269
(2R)-1-({4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}amino)propan-2-ol
CID 10937337

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).