4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine

C26H29FN8 — CID 135181568

IUPAC4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCC1CCCn2c1nc1c(F)cc(-c3ccnc(Nc4ccc(N5CCN(C)CC5)cn4)n3)cc12
InChIInChI=1S/C26H29FN8/c1-17-4-3-9-35-22-15-18(14-20(27)24(22)32-25(17)35)21-7-8-28-26(30-21)31-23-6-5-19(16-29-23)34-12-10-33(2)11-13-34/h5-8,14-17H,3-4,9-13H2,1-2H3,(H,28,29,30,31)
InChIKeyHHJFKJWFTARPJK-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.42
Rot. Bonds4

About 4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine

4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 135181568) has the molecular formula C26H29FN8 and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID135181568
Molecular FormulaC26H29FN8
Molecular Weight472.57 g/mol
Exact Mass472.25
IUPAC Name4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCC1CCCn2c1nc1c(F)cc(-c3ccnc(Nc4ccc(N5CCN(C)CC5)cn4)n3)cc12
InChIInChI=1S/C26H29FN8/c1-17-4-3-9-35-22-15-18(14-20(27)24(22)32-25(17)35)21-7-8-28-26(30-21)31-23-6-5-19(16-29-23)34-12-10-33(2)11-13-34/h5-8,14-17H,3-4,9-13H2,1-2H3,(H,28,29,30,31)
InChIKeyHHJFKJWFTARPJK-UHFFFAOYSA-N
XLogP4.42
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine (CID 135181568) is 4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine is CC1CCCn2c1nc1c(F)cc(-c3ccnc(Nc4ccc(N5CCN(C)CC5)cn4)n3)cc12.
What is the InChIKey of 4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is HHJFKJWFTARPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8/c1-17-4-3-9-35-22-15-18(14-20(27)24(22)32-25(17)35)21-7-8-28-26(30-21)31-23-6-5-19(16-29-23)34-12-10-33(2)11-13-34/h5-8,14-17H,3-4,9-13H2,1-2H3,(H,28,29,30,31).
What are the key properties of 4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 472.57 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-8-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 135181568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).