N-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C30H34FN7O2 — CID 10143725

IUPACN-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2nc3c(N4CCOCC4)cc(N4CCOCC4)cn3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C30H34FN7O2/c31-22-7-5-21(6-8-22)27-28(25-9-10-32-30(34-25)33-23-3-1-2-4-23)38-20-24(36-11-15-39-16-12-36)19-26(29(38)35-27)37-13-17-40-18-14-37/h5-10,19-20,23H,1-4,11-18H2,(H,32,33,34)
InChIKeyDISYKLPBBBZJFY-UHFFFAOYSA-N
MW543.65 g/mol
LogP4.63
Rot. Bonds6

About N-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

N-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 10143725) has the molecular formula C30H34FN7O2 and a molecular weight of 543.65 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID10143725
Molecular FormulaC30H34FN7O2
Molecular Weight543.65 g/mol
Exact Mass543.28
IUPAC NameN-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2nc3c(N4CCOCC4)cc(N4CCOCC4)cn3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C30H34FN7O2/c31-22-7-5-21(6-8-22)27-28(25-9-10-32-30(34-25)33-23-3-1-2-4-23)38-20-24(36-11-15-39-16-12-36)19-26(29(38)35-27)37-13-17-40-18-14-37/h5-10,19-20,23H,1-4,11-18H2,(H,32,33,34)
InChIKeyDISYKLPBBBZJFY-UHFFFAOYSA-N
XLogP4.63
TPSA80.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.65
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 10143725) is N-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is Fc1ccc(-c2nc3c(N4CCOCC4)cc(N4CCOCC4)cn3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is DISYKLPBBBZJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN7O2/c31-22-7-5-21(6-8-22)27-28(25-9-10-32-30(34-25)33-23-3-1-2-4-23)38-20-24(36-11-15-39-16-12-36)19-26(29(38)35-27)37-13-17-40-18-14-37/h5-10,19-20,23H,1-4,11-18H2,(H,32,33,34).
What are the key properties of N-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
N-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 543.65 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 10143725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).