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

C27H31FN6 — CID 24887643

IUPAC4-[2-(4-fluorophenyl)-7-[1-(2-methylbutyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCC(C)CN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C27H31FN6/c1-3-18(2)17-33-13-9-19(10-14-33)21-11-15-34-24(16-21)32-25(20-4-6-22(28)7-5-20)26(34)23-8-12-30-27(29)31-23/h4-8,11-12,15-16,18-19H,3,9-10,13-14,17H2,1-2H3,(H2,29,30,31)
InChIKeyXBGOYHJHWUHHJG-UHFFFAOYSA-N
MW458.59 g/mol
LogP5.41
Rot. Bonds6

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

4-[2-(4-fluorophenyl)-7-[1-(2-methylbutyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24887643) has the molecular formula C27H31FN6 and a molecular weight of 458.59 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-7-[1-(2-methylbutyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-7-[1-(2-methylbutyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24887643
Molecular FormulaC27H31FN6
Molecular Weight458.59 g/mol
Exact Mass458.26
IUPAC Name4-[2-(4-fluorophenyl)-7-[1-(2-methylbutyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCC(C)CN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C27H31FN6/c1-3-18(2)17-33-13-9-19(10-14-33)21-11-15-34-24(16-21)32-25(20-4-6-22(28)7-5-20)26(34)23-8-12-30-27(29)31-23/h4-8,11-12,15-16,18-19H,3,9-10,13-14,17H2,1-2H3,(H2,29,30,31)
InChIKeyXBGOYHJHWUHHJG-UHFFFAOYSA-N
XLogP5.41
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.59
LogP ≤ 55.41
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-methylbutyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-7-[1-(2-methylbutyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24887643) is 4-[2-(4-fluorophenyl)-7-[1-(2-methylbutyl)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-methylbutyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-7-[1-(2-methylbutyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CCC(C)CN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-7-[1-(2-methylbutyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is XBGOYHJHWUHHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6/c1-3-18(2)17-33-13-9-19(10-14-33)21-11-15-34-24(16-21)32-25(20-4-6-22(28)7-5-20)26(34)23-8-12-30-27(29)31-23/h4-8,11-12,15-16,18-19H,3,9-10,13-14,17H2,1-2H3,(H2,29,30,31).
What are the key properties of 4-[2-(4-fluorophenyl)-7-[1-(2-methylbutyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-7-[1-(2-methylbutyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 458.59 g/mol, XLogP of 5.41, 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-methylbutyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24887643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).