5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine

C27H27F3N10 — CID 118164208

IUPAC5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCC(Nc1nc(-c2cnc3ccc(F)cn23)nc(N2CCN(Cc3nccn3C)CC2)c1F)c1ccc(F)cn1
InChIInChI=1S/C27H27F3N10/c1-17(20-5-3-18(28)13-32-20)34-26-24(30)27(39-11-9-38(10-12-39)16-23-31-7-8-37(23)2)36-25(35-26)21-14-33-22-6-4-19(29)15-40(21)22/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,34,35,36)
InChIKeyOINZVHDNPBDVTN-UHFFFAOYSA-N
MW548.58 g/mol
LogP3.83
Rot. Bonds7

About 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine

5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 118164208) has the molecular formula C27H27F3N10 and a molecular weight of 548.58 g/mol. Its IUPAC name is 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID118164208
Molecular FormulaC27H27F3N10
Molecular Weight548.58 g/mol
Exact Mass548.24
IUPAC Name5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCC(Nc1nc(-c2cnc3ccc(F)cn23)nc(N2CCN(Cc3nccn3C)CC2)c1F)c1ccc(F)cn1
InChIInChI=1S/C27H27F3N10/c1-17(20-5-3-18(28)13-32-20)34-26-24(30)27(39-11-9-38(10-12-39)16-23-31-7-8-37(23)2)36-25(35-26)21-14-33-22-6-4-19(29)15-40(21)22/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,34,35,36)
InChIKeyOINZVHDNPBDVTN-UHFFFAOYSA-N
XLogP3.83
TPSA92.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.58
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine (CID 118164208) is 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine is CC(Nc1nc(-c2cnc3ccc(F)cn23)nc(N2CCN(Cc3nccn3C)CC2)c1F)c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is OINZVHDNPBDVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N10/c1-17(20-5-3-18(28)13-32-20)34-26-24(30)27(39-11-9-38(10-12-39)16-23-31-7-8-37(23)2)36-25(35-26)21-14-33-22-6-4-19(29)15-40(21)22/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,34,35,36).
What are the key properties of 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 548.58 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 118164208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).