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

C25H29FN8O — CID 167636641

IUPAC6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCOc1nc(-c2nc(Cc3ccc(N4CCNCC4)cn3)ncc2F)cc2c1nc(C)n2C(C)C
InChIInChI=1S/C25H29FN8O/c1-15(2)34-16(3)30-24-21(34)12-20(31-25(24)35-4)23-19(26)14-29-22(32-23)11-17-5-6-18(13-28-17)33-9-7-27-8-10-33/h5-6,12-15,27H,7-11H2,1-4H3
InChIKeyAMPAWUUEGJCFDA-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.32
Rot. Bonds6

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

6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 167636641) has the molecular formula C25H29FN8O and a molecular weight of 476.56 g/mol. Its IUPAC name is 6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID167636641
Molecular FormulaC25H29FN8O
Molecular Weight476.56 g/mol
Exact Mass476.24
IUPAC Name6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCOc1nc(-c2nc(Cc3ccc(N4CCNCC4)cn3)ncc2F)cc2c1nc(C)n2C(C)C
InChIInChI=1S/C25H29FN8O/c1-15(2)34-16(3)30-24-21(34)12-20(31-25(24)35-4)23-19(26)14-29-22(32-23)11-17-5-6-18(13-28-17)33-9-7-27-8-10-33/h5-6,12-15,27H,7-11H2,1-4H3
InChIKeyAMPAWUUEGJCFDA-UHFFFAOYSA-N
XLogP3.32
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine (CID 167636641) is 6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine is COc1nc(-c2nc(Cc3ccc(N4CCNCC4)cn3)ncc2F)cc2c1nc(C)n2C(C)C.
What is the InChIKey of 6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is AMPAWUUEGJCFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN8O/c1-15(2)34-16(3)30-24-21(34)12-20(31-25(24)35-4)23-19(26)14-29-22(32-23)11-17-5-6-18(13-28-17)33-9-7-27-8-10-33/h5-6,12-15,27H,7-11H2,1-4H3.
What are the key properties of 6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine?
6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 476.56 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)methyl]pyrimidin-4-yl]-4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 167636641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).