N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C26H27FN6O — CID 10276224

IUPACN-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2nc3ccc(N4CCOCC4)cn3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C26H27FN6O/c27-19-7-5-18(6-8-19)24-25(22-11-12-28-26(30-22)29-20-3-1-2-4-20)33-17-21(9-10-23(33)31-24)32-13-15-34-16-14-32/h5-12,17,20H,1-4,13-16H2,(H,28,29,30)
InChIKeyJPLNWTQRWZCVJP-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.79
Rot. Bonds5

About N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 10276224) has the molecular formula C26H27FN6O and a molecular weight of 458.54 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID10276224
Molecular FormulaC26H27FN6O
Molecular Weight458.54 g/mol
Exact Mass458.22
IUPAC NameN-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2nc3ccc(N4CCOCC4)cn3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C26H27FN6O/c27-19-7-5-18(6-8-19)24-25(22-11-12-28-26(30-22)29-20-3-1-2-4-20)33-17-21(9-10-23(33)31-24)32-13-15-34-16-14-32/h5-12,17,20H,1-4,13-16H2,(H,28,29,30)
InChIKeyJPLNWTQRWZCVJP-UHFFFAOYSA-N
XLogP4.79
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 10276224) is N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is Fc1ccc(-c2nc3ccc(N4CCOCC4)cn3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is JPLNWTQRWZCVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O/c27-19-7-5-18(6-8-19)24-25(22-11-12-28-26(30-22)29-20-3-1-2-4-20)33-17-21(9-10-23(33)31-24)32-13-15-34-16-14-32/h5-12,17,20H,1-4,13-16H2,(H,28,29,30).
What are the key properties of N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 458.54 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 10276224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).