4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one

C26H29FN8O2 — CID 167605122

IUPAC4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
SMILESCCN1CCN(c2ccc(Cc3ncc(F)c(-c4cc5c(ncn5C(C)C)c(OC)n4)n3)nc2)C(=O)C1
InChIInChI=1S/C26H29FN8O2/c1-5-33-8-9-34(23(36)14-33)18-7-6-17(28-12-18)10-22-29-13-19(27)24(32-22)20-11-21-25(26(31-20)37-4)30-15-35(21)16(2)3/h6-7,11-13,15-16H,5,8-10,14H2,1-4H3
InChIKeyKGWJZCSQPXEELA-UHFFFAOYSA-N
MW504.57 g/mol
LogP3.27
Rot. Bonds7

About 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one

4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one (PubChem CID 167605122) has the molecular formula C26H29FN8O2 and a molecular weight of 504.57 g/mol. Its IUPAC name is 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
PubChem CID167605122
Molecular FormulaC26H29FN8O2
Molecular Weight504.57 g/mol
Exact Mass504.24
IUPAC Name4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
SMILESCCN1CCN(c2ccc(Cc3ncc(F)c(-c4cc5c(ncn5C(C)C)c(OC)n4)n3)nc2)C(=O)C1
InChIInChI=1S/C26H29FN8O2/c1-5-33-8-9-34(23(36)14-33)18-7-6-17(28-12-18)10-22-29-13-19(27)24(32-22)20-11-21-25(26(31-20)37-4)30-15-35(21)16(2)3/h6-7,11-13,15-16H,5,8-10,14H2,1-4H3
InChIKeyKGWJZCSQPXEELA-UHFFFAOYSA-N
XLogP3.27
TPSA102.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.57
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one?
The IUPAC name of 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one (CID 167605122) is 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one is CCN1CCN(c2ccc(Cc3ncc(F)c(-c4cc5c(ncn5C(C)C)c(OC)n4)n3)nc2)C(=O)C1.
What is the InChIKey of 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one?
The InChIKey is KGWJZCSQPXEELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8O2/c1-5-33-8-9-34(23(36)14-33)18-7-6-17(28-12-18)10-22-29-13-19(27)24(32-22)20-11-21-25(26(31-20)37-4)30-15-35(21)16(2)3/h6-7,11-13,15-16H,5,8-10,14H2,1-4H3.
What are the key properties of 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one?
4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one has a molecular weight of 504.57 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one is sourced from PubChem (CID 167605122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).