3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide

C24H16F3N7O3S — CID 162773210

IUPAC3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESNC(=O)c1ccn2c(-c3ccnc(N)n3)c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc2c1
InChIInChI=1S/C24H16F3N7O3S/c25-14-4-2-5-15(26)22(14)38(36,37)33-16-6-1-3-13(19(16)27)20-21(17-7-9-30-24(29)31-17)34-10-8-12(23(28)35)11-18(34)32-20/h1-11,33H,(H2,28,35)(H2,29,30,31)
InChIKeyRQYYENDSPAUORG-UHFFFAOYSA-N
MW539.50 g/mol
LogP3.36
Rot. Bonds6

About 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide

3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 162773210) has the molecular formula C24H16F3N7O3S and a molecular weight of 539.50 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID162773210
Molecular FormulaC24H16F3N7O3S
Molecular Weight539.50 g/mol
Exact Mass539.10
IUPAC Name3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESNC(=O)c1ccn2c(-c3ccnc(N)n3)c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc2c1
InChIInChI=1S/C24H16F3N7O3S/c25-14-4-2-5-15(26)22(14)38(36,37)33-16-6-1-3-13(19(16)27)20-21(17-7-9-30-24(29)31-17)34-10-8-12(23(28)35)11-18(34)32-20/h1-11,33H,(H2,28,35)(H2,29,30,31)
InChIKeyRQYYENDSPAUORG-UHFFFAOYSA-N
XLogP3.36
TPSA158.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.50
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 162773210) is 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide is NC(=O)c1ccn2c(-c3ccnc(N)n3)c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc2c1.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is RQYYENDSPAUORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N7O3S/c25-14-4-2-5-15(26)22(14)38(36,37)33-16-6-1-3-13(19(16)27)20-21(17-7-9-30-24(29)31-17)34-10-8-12(23(28)35)11-18(34)32-20/h1-11,33H,(H2,28,35)(H2,29,30,31).
What are the key properties of 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide?
3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 539.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 162773210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).