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

C24H25FN6 — CID 10070518

IUPAC4-[7-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C24H25FN6/c1-2-30-12-8-16(9-13-30)18-10-14-31-21(15-18)29-22(17-3-5-19(25)6-4-17)23(31)20-7-11-27-24(26)28-20/h3-7,10-11,14-16H,2,8-9,12-13H2,1H3,(H2,26,27,28)
InChIKeyLKJQIVQCJBWGDC-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.38
Rot. Bonds4

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

4-[7-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 10070518) has the molecular formula C24H25FN6 and a molecular weight of 416.50 g/mol. Its IUPAC name is 4-[7-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID10070518
Molecular FormulaC24H25FN6
Molecular Weight416.50 g/mol
Exact Mass416.21
IUPAC Name4-[7-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C24H25FN6/c1-2-30-12-8-16(9-13-30)18-10-14-31-21(15-18)29-22(17-3-5-19(25)6-4-17)23(31)20-7-11-27-24(26)28-20/h3-7,10-11,14-16H,2,8-9,12-13H2,1H3,(H2,26,27,28)
InChIKeyLKJQIVQCJBWGDC-UHFFFAOYSA-N
XLogP4.38
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[7-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 10070518) is 4-[7-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[7-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CCN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1.
What is the InChIKey of 4-[7-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is LKJQIVQCJBWGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6/c1-2-30-12-8-16(9-13-30)18-10-14-31-21(15-18)29-22(17-3-5-19(25)6-4-17)23(31)20-7-11-27-24(26)28-20/h3-7,10-11,14-16H,2,8-9,12-13H2,1H3,(H2,26,27,28).
What are the key properties of 4-[7-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[7-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 416.50 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 10070518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).