1-[2-[[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol

C22H20ClFN6O — CID 67028781

IUPAC1-[2-[[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(NCc3c(-c4ccc(F)cc4)nc4ccc(Cl)cn34)n2)C1
InChIInChI=1S/C22H20ClFN6O/c23-15-3-6-20-27-21(14-1-4-16(24)5-2-14)18(30(20)12-15)11-26-22-25-9-7-19(28-22)29-10-8-17(31)13-29/h1-7,9,12,17,31H,8,10-11,13H2,(H,25,26,28)
InChIKeyVIXAGLXOSHFQMG-UHFFFAOYSA-N
MW438.89 g/mol
LogP3.77
Rot. Bonds5

About 1-[2-[[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-[[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 67028781) has the molecular formula C22H20ClFN6O and a molecular weight of 438.89 g/mol. Its IUPAC name is 1-[2-[[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID67028781
Molecular FormulaC22H20ClFN6O
Molecular Weight438.89 g/mol
Exact Mass438.14
IUPAC Name1-[2-[[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(NCc3c(-c4ccc(F)cc4)nc4ccc(Cl)cn34)n2)C1
InChIInChI=1S/C22H20ClFN6O/c23-15-3-6-20-27-21(14-1-4-16(24)5-2-14)18(30(20)12-15)11-26-22-25-9-7-19(28-22)29-10-8-17(31)13-29/h1-7,9,12,17,31H,8,10-11,13H2,(H,25,26,28)
InChIKeyVIXAGLXOSHFQMG-UHFFFAOYSA-N
XLogP3.77
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol (CID 67028781) is 1-[2-[[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol is OC1CCN(c2ccnc(NCc3c(-c4ccc(F)cc4)nc4ccc(Cl)cn34)n2)C1.
What is the InChIKey of 1-[2-[[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is VIXAGLXOSHFQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN6O/c23-15-3-6-20-27-21(14-1-4-16(24)5-2-14)18(30(20)12-15)11-26-22-25-9-7-19(28-22)29-10-8-17(31)13-29/h1-7,9,12,17,31H,8,10-11,13H2,(H,25,26,28).
What are the key properties of 1-[2-[[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-[[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 438.89 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 67028781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).