4-[2-(4-fluorophenyl)-7-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C30H29FN6 — CID 24887646

IUPAC4-[2-(4-fluorophenyl)-7-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CCN(CCc5ccccc5)CC4)ccn23)n1
InChIInChI=1S/C30H29FN6/c31-25-8-6-23(7-9-25)28-29(26-10-15-33-30(32)34-26)37-19-14-24(20-27(37)35-28)22-12-17-36(18-13-22)16-11-21-4-2-1-3-5-21/h1-10,14-15,19-20,22H,11-13,16-18H2,(H2,32,33,34)
InChIKeyKFCNUNOUNAFEDT-UHFFFAOYSA-N
MW492.60 g/mol
LogP5.60
Rot. Bonds6

About 4-[2-(4-fluorophenyl)-7-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

4-[2-(4-fluorophenyl)-7-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24887646) has the molecular formula C30H29FN6 and a molecular weight of 492.60 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-7-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-7-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24887646
Molecular FormulaC30H29FN6
Molecular Weight492.60 g/mol
Exact Mass492.24
IUPAC Name4-[2-(4-fluorophenyl)-7-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CCN(CCc5ccccc5)CC4)ccn23)n1
InChIInChI=1S/C30H29FN6/c31-25-8-6-23(7-9-25)28-29(26-10-15-33-30(32)34-26)37-19-14-24(20-27(37)35-28)22-12-17-36(18-13-22)16-11-21-4-2-1-3-5-21/h1-10,14-15,19-20,22H,11-13,16-18H2,(H2,32,33,34)
InChIKeyKFCNUNOUNAFEDT-UHFFFAOYSA-N
XLogP5.60
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.60
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-7-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-7-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24887646) is 4-[2-(4-fluorophenyl)-7-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-7-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-7-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CCN(CCc5ccccc5)CC4)ccn23)n1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-7-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is KFCNUNOUNAFEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN6/c31-25-8-6-23(7-9-25)28-29(26-10-15-33-30(32)34-26)37-19-14-24(20-27(37)35-28)22-12-17-36(18-13-22)16-11-21-4-2-1-3-5-21/h1-10,14-15,19-20,22H,11-13,16-18H2,(H2,32,33,34).
What are the key properties of 4-[2-(4-fluorophenyl)-7-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-7-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 492.60 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-7-[1-(2-phenylethyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24887646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).