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

C25H27FN6O — CID 24888088

IUPAC3-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]propan-1-ol
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CCN(CCCO)CC4)ccn23)n1
InChIInChI=1S/C25H27FN6O/c26-20-4-2-18(3-5-20)23-24(21-6-10-28-25(27)29-21)32-14-9-19(16-22(32)30-23)17-7-12-31(13-8-17)11-1-15-33/h2-6,9-10,14,16-17,33H,1,7-8,11-13,15H2,(H2,27,28,29)
InChIKeyHNEKQDXMUAFDAW-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.74
Rot. Bonds6

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

3-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]propan-1-ol (PubChem CID 24888088) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is 3-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]propan-1-ol
PubChem CID24888088
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC Name3-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]propan-1-ol
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CCN(CCCO)CC4)ccn23)n1
InChIInChI=1S/C25H27FN6O/c26-20-4-2-18(3-5-20)23-24(21-6-10-28-25(27)29-21)32-14-9-19(16-22(32)30-23)17-7-12-31(13-8-17)11-1-15-33/h2-6,9-10,14,16-17,33H,1,7-8,11-13,15H2,(H2,27,28,29)
InChIKeyHNEKQDXMUAFDAW-UHFFFAOYSA-N
XLogP3.74
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]propan-1-ol (CID 24888088) is 3-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]propan-1-ol is Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CCN(CCCO)CC4)ccn23)n1.
What is the InChIKey of 3-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]propan-1-ol?
The InChIKey is HNEKQDXMUAFDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O/c26-20-4-2-18(3-5-20)23-24(21-6-10-28-25(27)29-21)32-14-9-19(16-22(32)30-23)17-7-12-31(13-8-17)11-1-15-33/h2-6,9-10,14,16-17,33H,1,7-8,11-13,15H2,(H2,27,28,29).
What are the key properties of 3-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]propan-1-ol?
3-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]propan-1-ol has a molecular weight of 446.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 24888088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).