1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one

C23H23F2N5O3 — CID 90163925

IUPAC1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one
SMILESCOc1cc(C)c(F)c(COc2cnc(Nc3ccc(N4CCC(=O)CC4)nc3)nc2)c1F
InChIInChI=1S/C23H23F2N5O3/c1-14-9-19(32-2)22(25)18(21(14)24)13-33-17-11-27-23(28-12-17)29-15-3-4-20(26-10-15)30-7-5-16(31)6-8-30/h3-4,9-12H,5-8,13H2,1-2H3,(H,27,28,29)
InChIKeyVVABBCWAMKOXGQ-UHFFFAOYSA-N
MW455.47 g/mol
LogP3.96
Rot. Bonds7

About 1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one

1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one (PubChem CID 90163925) has the molecular formula C23H23F2N5O3 and a molecular weight of 455.47 g/mol. Its IUPAC name is 1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one.

Molecular Properties

Compound Name1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one
PubChem CID90163925
Molecular FormulaC23H23F2N5O3
Molecular Weight455.47 g/mol
Exact Mass455.18
IUPAC Name1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one
SMILESCOc1cc(C)c(F)c(COc2cnc(Nc3ccc(N4CCC(=O)CC4)nc3)nc2)c1F
InChIInChI=1S/C23H23F2N5O3/c1-14-9-19(32-2)22(25)18(21(14)24)13-33-17-11-27-23(28-12-17)29-15-3-4-20(26-10-15)30-7-5-16(31)6-8-30/h3-4,9-12H,5-8,13H2,1-2H3,(H,27,28,29)
InChIKeyVVABBCWAMKOXGQ-UHFFFAOYSA-N
XLogP3.96
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one with MolForge

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Related Compounds

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CID 90166045
CID 90166111
CID 90166111
CID 90166115
CID 90166115
CID 118055008
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CID 134507962
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CID 11681539
CID 11681539
CID 155518803
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CID 155531676
CID 155531676

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one?
The IUPAC name of 1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one (CID 90163925) is 1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one.
What is the SMILES notation for 1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one?
The canonical SMILES for 1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one is COc1cc(C)c(F)c(COc2cnc(Nc3ccc(N4CCC(=O)CC4)nc3)nc2)c1F.
What is the InChIKey of 1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one?
The InChIKey is VVABBCWAMKOXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O3/c1-14-9-19(32-2)22(25)18(21(14)24)13-33-17-11-27-23(28-12-17)29-15-3-4-20(26-10-15)30-7-5-16(31)6-8-30/h3-4,9-12H,5-8,13H2,1-2H3,(H,27,28,29).
What are the key properties of 1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one?
1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one has a molecular weight of 455.47 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one is sourced from PubChem (CID 90163925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).