2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C25H28FN7O2 — CID 155203364

IUPAC2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCC(=O)C1CCN(c2ccc(Nc3ncc(F)c(-c4cc5c(n4C)CCNC5=O)n3)nc2)CC1
InChIInChI=1S/C25H28FN7O2/c1-3-21(34)15-7-10-33(11-8-15)16-4-5-22(28-13-16)30-25-29-14-18(26)23(31-25)20-12-17-19(32(20)2)6-9-27-24(17)35/h4-5,12-15H,3,6-11H2,1-2H3,(H,27,35)(H,28,29,30,31)
InChIKeyIJALUFNUYREALH-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.24
Rot. Bonds6

About 2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 155203364) has the molecular formula C25H28FN7O2 and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID155203364
Molecular FormulaC25H28FN7O2
Molecular Weight477.54 g/mol
Exact Mass477.23
IUPAC Name2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCC(=O)C1CCN(c2ccc(Nc3ncc(F)c(-c4cc5c(n4C)CCNC5=O)n3)nc2)CC1
InChIInChI=1S/C25H28FN7O2/c1-3-21(34)15-7-10-33(11-8-15)16-4-5-22(28-13-16)30-25-29-14-18(26)23(31-25)20-12-17-19(32(20)2)6-9-27-24(17)35/h4-5,12-15H,3,6-11H2,1-2H3,(H,27,35)(H,28,29,30,31)
InChIKeyIJALUFNUYREALH-UHFFFAOYSA-N
XLogP3.24
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 155203364) is 2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is CCC(=O)C1CCN(c2ccc(Nc3ncc(F)c(-c4cc5c(n4C)CCNC5=O)n3)nc2)CC1.
What is the InChIKey of 2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is IJALUFNUYREALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7O2/c1-3-21(34)15-7-10-33(11-8-15)16-4-5-22(28-13-16)30-25-29-14-18(26)23(31-25)20-12-17-19(32(20)2)6-9-27-24(17)35/h4-5,12-15H,3,6-11H2,1-2H3,(H,27,35)(H,28,29,30,31).
What are the key properties of 2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 477.54 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[[5-(4-propanoylpiperidin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 155203364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).