5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[3-(1H-pyrazol-4-yl)-5-pyrrolidin-3-yloxyphenyl]pyrimidin-2-amine

C24H21FN8O — CID 86301748

IUPAC5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[3-(1H-pyrazol-4-yl)-5-pyrrolidin-3-yloxyphenyl]pyrimidin-2-amine
SMILESFc1cnc(Nc2cc(OC3CCNC3)cc(-c3cn[nH]c3)c2)nc1-c1cnc2ccccn12
InChIInChI=1S/C24H21FN8O/c25-20-13-28-24(32-23(20)21-14-27-22-3-1-2-6-33(21)22)31-17-7-15(16-10-29-30-11-16)8-19(9-17)34-18-4-5-26-12-18/h1-3,6-11,13-14,18,26H,4-5,12H2,(H,29,30)(H,28,31,32)
InChIKeyXUKGKMNKBOUUOZ-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.80
Rot. Bonds6

About 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[3-(1H-pyrazol-4-yl)-5-pyrrolidin-3-yloxyphenyl]pyrimidin-2-amine

5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[3-(1H-pyrazol-4-yl)-5-pyrrolidin-3-yloxyphenyl]pyrimidin-2-amine (PubChem CID 86301748) has the molecular formula C24H21FN8O and a molecular weight of 456.49 g/mol. Its IUPAC name is 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[3-(1H-pyrazol-4-yl)-5-pyrrolidin-3-yloxyphenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[3-(1H-pyrazol-4-yl)-5-pyrrolidin-3-yloxyphenyl]pyrimidin-2-amine
PubChem CID86301748
Molecular FormulaC24H21FN8O
Molecular Weight456.49 g/mol
Exact Mass456.18
IUPAC Name5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[3-(1H-pyrazol-4-yl)-5-pyrrolidin-3-yloxyphenyl]pyrimidin-2-amine
SMILESFc1cnc(Nc2cc(OC3CCNC3)cc(-c3cn[nH]c3)c2)nc1-c1cnc2ccccn12
InChIInChI=1S/C24H21FN8O/c25-20-13-28-24(32-23(20)21-14-27-22-3-1-2-6-33(21)22)31-17-7-15(16-10-29-30-11-16)8-19(9-17)34-18-4-5-26-12-18/h1-3,6-11,13-14,18,26H,4-5,12H2,(H,29,30)(H,28,31,32)
InChIKeyXUKGKMNKBOUUOZ-UHFFFAOYSA-N
XLogP3.80
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.80
H-Bond Donors ≤ 53
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-(1H-pyrazol-4-yl)-5-pyrrolidin-3-yloxyphenyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[3-(1H-pyrazol-4-yl)-5-pyrrolidin-3-yloxyphenyl]pyrimidin-2-amine (CID 86301748) is 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[3-(1H-pyrazol-4-yl)-5-pyrrolidin-3-yloxyphenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[3-(1H-pyrazol-4-yl)-5-pyrrolidin-3-yloxyphenyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[3-(1H-pyrazol-4-yl)-5-pyrrolidin-3-yloxyphenyl]pyrimidin-2-amine is Fc1cnc(Nc2cc(OC3CCNC3)cc(-c3cn[nH]c3)c2)nc1-c1cnc2ccccn12.
What is the InChIKey of 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[3-(1H-pyrazol-4-yl)-5-pyrrolidin-3-yloxyphenyl]pyrimidin-2-amine?
The InChIKey is XUKGKMNKBOUUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN8O/c25-20-13-28-24(32-23(20)21-14-27-22-3-1-2-6-33(21)22)31-17-7-15(16-10-29-30-11-16)8-19(9-17)34-18-4-5-26-12-18/h1-3,6-11,13-14,18,26H,4-5,12H2,(H,29,30)(H,28,31,32).
What are the key properties of 5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[3-(1H-pyrazol-4-yl)-5-pyrrolidin-3-yloxyphenyl]pyrimidin-2-amine?
5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[3-(1H-pyrazol-4-yl)-5-pyrrolidin-3-yloxyphenyl]pyrimidin-2-amine has a molecular weight of 456.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 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-(1H-pyrazol-4-yl)-5-pyrrolidin-3-yloxyphenyl]pyrimidin-2-amine is sourced from PubChem (CID 86301748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).