5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-pyrrolidin-3-yloxy-5-thiophen-2-ylphenyl)pyrimidin-2-amine

C25H21FN6OS — CID 86301594

IUPAC5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-pyrrolidin-3-yloxy-5-thiophen-2-ylphenyl)pyrimidin-2-amine
SMILESFc1cnc(Nc2cc(OC3CCNC3)cc(-c3cccs3)c2)nc1-c1cnc2ccccn12
InChIInChI=1S/C25H21FN6OS/c26-20-14-29-25(31-24(20)21-15-28-23-5-1-2-8-32(21)23)30-17-10-16(22-4-3-9-34-22)11-19(12-17)33-18-6-7-27-13-18/h1-5,8-12,14-15,18,27H,6-7,13H2,(H,29,30,31)
InChIKeyFECKEHPWJXKFAX-UHFFFAOYSA-N
MW472.55 g/mol
LogP5.14
Rot. Bonds6

About 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-pyrrolidin-3-yloxy-5-thiophen-2-ylphenyl)pyrimidin-2-amine

5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-pyrrolidin-3-yloxy-5-thiophen-2-ylphenyl)pyrimidin-2-amine (PubChem CID 86301594) has the molecular formula C25H21FN6OS and a molecular weight of 472.55 g/mol. Its IUPAC name is 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-pyrrolidin-3-yloxy-5-thiophen-2-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-pyrrolidin-3-yloxy-5-thiophen-2-ylphenyl)pyrimidin-2-amine
PubChem CID86301594
Molecular FormulaC25H21FN6OS
Molecular Weight472.55 g/mol
Exact Mass472.15
IUPAC Name5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-pyrrolidin-3-yloxy-5-thiophen-2-ylphenyl)pyrimidin-2-amine
SMILESFc1cnc(Nc2cc(OC3CCNC3)cc(-c3cccs3)c2)nc1-c1cnc2ccccn12
InChIInChI=1S/C25H21FN6OS/c26-20-14-29-25(31-24(20)21-15-28-23-5-1-2-8-32(21)23)30-17-10-16(22-4-3-9-34-22)11-19(12-17)33-18-6-7-27-13-18/h1-5,8-12,14-15,18,27H,6-7,13H2,(H,29,30,31)
InChIKeyFECKEHPWJXKFAX-UHFFFAOYSA-N
XLogP5.14
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-pyrrolidin-3-yloxy-5-thiophen-2-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-pyrrolidin-3-yloxy-5-thiophen-2-ylphenyl)pyrimidin-2-amine (CID 86301594) is 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-pyrrolidin-3-yloxy-5-thiophen-2-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-pyrrolidin-3-yloxy-5-thiophen-2-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-pyrrolidin-3-yloxy-5-thiophen-2-ylphenyl)pyrimidin-2-amine is Fc1cnc(Nc2cc(OC3CCNC3)cc(-c3cccs3)c2)nc1-c1cnc2ccccn12.
What is the InChIKey of 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-pyrrolidin-3-yloxy-5-thiophen-2-ylphenyl)pyrimidin-2-amine?
The InChIKey is FECKEHPWJXKFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6OS/c26-20-14-29-25(31-24(20)21-15-28-23-5-1-2-8-32(21)23)30-17-10-16(22-4-3-9-34-22)11-19(12-17)33-18-6-7-27-13-18/h1-5,8-12,14-15,18,27H,6-7,13H2,(H,29,30,31).
What are the key properties of 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-pyrrolidin-3-yloxy-5-thiophen-2-ylphenyl)pyrimidin-2-amine?
5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-pyrrolidin-3-yloxy-5-thiophen-2-ylphenyl)pyrimidin-2-amine has a molecular weight of 472.55 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(3-pyrrolidin-3-yloxy-5-thiophen-2-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 86301594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).