4-fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine

C24H27FN8 — CID 167531629

IUPAC4-fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2c(F)nc(-c3ccnc(Cc4ccc(N5CCN(C)CC5)cn4)n3)cc21
InChIInChI=1S/C24H27FN8/c1-16(2)33-15-28-23-21(33)13-20(30-24(23)25)19-6-7-26-22(29-19)12-17-4-5-18(14-27-17)32-10-8-31(3)9-11-32/h4-7,13-16H,8-12H2,1-3H3
InChIKeyAAXNUOUAAAEJOE-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.35
Rot. Bonds5

About 4-fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine

4-fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 167531629) has the molecular formula C24H27FN8 and a molecular weight of 446.53 g/mol. Its IUPAC name is 4-fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID167531629
Molecular FormulaC24H27FN8
Molecular Weight446.53 g/mol
Exact Mass446.23
IUPAC Name4-fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2c(F)nc(-c3ccnc(Cc4ccc(N5CCN(C)CC5)cn4)n3)cc21
InChIInChI=1S/C24H27FN8/c1-16(2)33-15-28-23-21(33)13-20(30-24(23)25)19-6-7-26-22(29-19)12-17-4-5-18(14-27-17)32-10-8-31(3)9-11-32/h4-7,13-16H,8-12H2,1-3H3
InChIKeyAAXNUOUAAAEJOE-UHFFFAOYSA-N
XLogP3.35
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 4-fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine (CID 167531629) is 4-fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 4-fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine is CC(C)n1cnc2c(F)nc(-c3ccnc(Cc4ccc(N5CCN(C)CC5)cn4)n3)cc21.
What is the InChIKey of 4-fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is AAXNUOUAAAEJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8/c1-16(2)33-15-28-23-21(33)13-20(30-24(23)25)19-6-7-26-22(29-19)12-17-4-5-18(14-27-17)32-10-8-31(3)9-11-32/h4-7,13-16H,8-12H2,1-3H3.
What are the key properties of 4-fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine?
4-fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 446.53 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 167531629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).