4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine

C29H27FN6 — CID 155548593

IUPAC4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine
SMILESCN1CCC(c2ccc(Nc3nccc(-c4c(-c5ccc(F)cc5)nc5ccccn45)n3)cc2)CC1
InChIInChI=1S/C29H27FN6/c1-35-18-14-21(15-19-35)20-7-11-24(12-8-20)32-29-31-16-13-25(33-29)28-27(22-5-9-23(30)10-6-22)34-26-4-2-3-17-36(26)28/h2-13,16-17,21H,14-15,18-19H2,1H3,(H,31,32,33)
InChIKeyLFXCGOXIDHGCSL-UHFFFAOYSA-N
MW478.58 g/mol
LogP6.15
Rot. Bonds5

About 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine

4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine (PubChem CID 155548593) has the molecular formula C29H27FN6 and a molecular weight of 478.58 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine
PubChem CID155548593
Molecular FormulaC29H27FN6
Molecular Weight478.58 g/mol
Exact Mass478.23
IUPAC Name4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine
SMILESCN1CCC(c2ccc(Nc3nccc(-c4c(-c5ccc(F)cc5)nc5ccccn45)n3)cc2)CC1
InChIInChI=1S/C29H27FN6/c1-35-18-14-21(15-19-35)20-7-11-24(12-8-20)32-29-31-16-13-25(33-29)28-27(22-5-9-23(30)10-6-22)34-26-4-2-3-17-36(26)28/h2-13,16-17,21H,14-15,18-19H2,1H3,(H,31,32,33)
InChIKeyLFXCGOXIDHGCSL-UHFFFAOYSA-N
XLogP6.15
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.58
LogP ≤ 56.15
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)imidazo[1,2-a]pyridin-3-yl]-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine (CID 155548593) is 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine is CN1CCC(c2ccc(Nc3nccc(-c4c(-c5ccc(F)cc5)nc5ccccn45)n3)cc2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine?
The InChIKey is LFXCGOXIDHGCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6/c1-35-18-14-21(15-19-35)20-7-11-24(12-8-20)32-29-31-16-13-25(33-29)28-27(22-5-9-23(30)10-6-22)34-26-4-2-3-17-36(26)28/h2-13,16-17,21H,14-15,18-19H2,1H3,(H,31,32,33).
What are the key properties of 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine has a molecular weight of 478.58 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 155548593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).