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

C26H29FN6 — CID 24887642

IUPAC4-[2-(4-fluorophenyl)-7-[1-(2-methylpropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCC(C)CN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C26H29FN6/c1-17(2)16-32-12-8-18(9-13-32)20-10-14-33-23(15-20)31-24(19-3-5-21(27)6-4-19)25(33)22-7-11-29-26(28)30-22/h3-7,10-11,14-15,17-18H,8-9,12-13,16H2,1-2H3,(H2,28,29,30)
InChIKeyQKZRZFKSEWJBQZ-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.01
Rot. Bonds5

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

4-[2-(4-fluorophenyl)-7-[1-(2-methylpropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24887642) has the molecular formula C26H29FN6 and a molecular weight of 444.56 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-7-[1-(2-methylpropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-7-[1-(2-methylpropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24887642
Molecular FormulaC26H29FN6
Molecular Weight444.56 g/mol
Exact Mass444.24
IUPAC Name4-[2-(4-fluorophenyl)-7-[1-(2-methylpropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCC(C)CN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C26H29FN6/c1-17(2)16-32-12-8-18(9-13-32)20-10-14-33-23(15-20)31-24(19-3-5-21(27)6-4-19)25(33)22-7-11-29-26(28)30-22/h3-7,10-11,14-15,17-18H,8-9,12-13,16H2,1-2H3,(H2,28,29,30)
InChIKeyQKZRZFKSEWJBQZ-UHFFFAOYSA-N
XLogP5.01
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.01
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-methylpropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-7-[1-(2-methylpropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24887642) is 4-[2-(4-fluorophenyl)-7-[1-(2-methylpropyl)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-methylpropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-7-[1-(2-methylpropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CC(C)CN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-7-[1-(2-methylpropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is QKZRZFKSEWJBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6/c1-17(2)16-32-12-8-18(9-13-32)20-10-14-33-23(15-20)31-24(19-3-5-21(27)6-4-19)25(33)22-7-11-29-26(28)30-22/h3-7,10-11,14-15,17-18H,8-9,12-13,16H2,1-2H3,(H2,28,29,30).
What are the key properties of 4-[2-(4-fluorophenyl)-7-[1-(2-methylpropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-7-[1-(2-methylpropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 444.56 g/mol, XLogP of 5.01, 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)-7-[1-(2-methylpropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24887642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).