5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine

C34H44F2N10 — CID 118164335

IUPAC5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine
SMILESCN1CCN(CCN(c2nc(-c3cnc4ccc(F)cn34)nc(-c3ccc(N4CCN(C)CC4)cc3)c2F)C2CCCNC2)CC1
InChIInChI=1S/C34H44F2N10/c1-41-12-16-43(17-13-41)18-21-45(28-4-3-11-37-22-28)34-31(36)32(25-5-8-27(9-6-25)44-19-14-42(2)15-20-44)39-33(40-34)29-23-38-30-10-7-26(35)24-46(29)30/h5-10,23-24,28,37H,3-4,11-22H2,1-2H3
InChIKeySDEXXQVKXCHNKP-UHFFFAOYSA-N
MW630.79 g/mol
LogP3.29
Rot. Bonds8

About 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine

5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine (PubChem CID 118164335) has the molecular formula C34H44F2N10 and a molecular weight of 630.79 g/mol. Its IUPAC name is 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine
PubChem CID118164335
Molecular FormulaC34H44F2N10
Molecular Weight630.79 g/mol
Exact Mass630.37
IUPAC Name5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine
SMILESCN1CCN(CCN(c2nc(-c3cnc4ccc(F)cn34)nc(-c3ccc(N4CCN(C)CC4)cc3)c2F)C2CCCNC2)CC1
InChIInChI=1S/C34H44F2N10/c1-41-12-16-43(17-13-41)18-21-45(28-4-3-11-37-22-28)34-31(36)32(25-5-8-27(9-6-25)44-19-14-42(2)15-20-44)39-33(40-34)29-23-38-30-10-7-26(35)24-46(29)30/h5-10,23-24,28,37H,3-4,11-22H2,1-2H3
InChIKeySDEXXQVKXCHNKP-UHFFFAOYSA-N
XLogP3.29
TPSA71.31 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.79
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-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-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine (CID 118164335) is 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine is CN1CCN(CCN(c2nc(-c3cnc4ccc(F)cn34)nc(-c3ccc(N4CCN(C)CC4)cc3)c2F)C2CCCNC2)CC1.
What is the InChIKey of 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is SDEXXQVKXCHNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44F2N10/c1-41-12-16-43(17-13-41)18-21-45(28-4-3-11-37-22-28)34-31(36)32(25-5-8-27(9-6-25)44-19-14-42(2)15-20-44)39-33(40-34)29-23-38-30-10-7-26(35)24-46(29)30/h5-10,23-24,28,37H,3-4,11-22H2,1-2H3.
What are the key properties of 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine?
5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 630.79 g/mol, XLogP of 3.29, 8 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-[2-(4-methylpiperazin-1-yl)ethyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 118164335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).