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

C24H26FN7O3 — CID 155203365

IUPAC2-[5-fluoro-2-[[5-[4-(2-hydroxyacetyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCn1c(-c2nc(Nc3ccc(N4CCC(C(=O)CO)CC4)cn3)ncc2F)cc2c1CCNC2=O
InChIInChI=1S/C24H26FN7O3/c1-31-18-4-7-26-23(35)16(18)10-19(31)22-17(25)12-28-24(30-22)29-21-3-2-15(11-27-21)32-8-5-14(6-9-32)20(34)13-33/h2-3,10-12,14,33H,4-9,13H2,1H3,(H,26,35)(H,27,28,29,30)
InChIKeyZPNLKFXPHNEIGY-UHFFFAOYSA-N
MW479.52 g/mol
LogP1.82
Rot. Bonds6

About 2-[5-fluoro-2-[[5-[4-(2-hydroxyacetyl)piperidin-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-(2-hydroxyacetyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 155203365) has the molecular formula C24H26FN7O3 and a molecular weight of 479.52 g/mol. Its IUPAC name is 2-[5-fluoro-2-[[5-[4-(2-hydroxyacetyl)piperidin-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-(2-hydroxyacetyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID155203365
Molecular FormulaC24H26FN7O3
Molecular Weight479.52 g/mol
Exact Mass479.21
IUPAC Name2-[5-fluoro-2-[[5-[4-(2-hydroxyacetyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCn1c(-c2nc(Nc3ccc(N4CCC(C(=O)CO)CC4)cn3)ncc2F)cc2c1CCNC2=O
InChIInChI=1S/C24H26FN7O3/c1-31-18-4-7-26-23(35)16(18)10-19(31)22-17(25)12-28-24(30-22)29-21-3-2-15(11-27-21)32-8-5-14(6-9-32)20(34)13-33/h2-3,10-12,14,33H,4-9,13H2,1H3,(H,26,35)(H,27,28,29,30)
InChIKeyZPNLKFXPHNEIGY-UHFFFAOYSA-N
XLogP1.82
TPSA125.27 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[5-fluoro-2-[[5-[4-(2-hydroxyacetyl)piperidin-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-(2-hydroxyacetyl)piperidin-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-(2-hydroxyacetyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 155203365) is 2-[5-fluoro-2-[[5-[4-(2-hydroxyacetyl)piperidin-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-(2-hydroxyacetyl)piperidin-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-(2-hydroxyacetyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Cn1c(-c2nc(Nc3ccc(N4CCC(C(=O)CO)CC4)cn3)ncc2F)cc2c1CCNC2=O.
What is the InChIKey of 2-[5-fluoro-2-[[5-[4-(2-hydroxyacetyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ZPNLKFXPHNEIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O3/c1-31-18-4-7-26-23(35)16(18)10-19(31)22-17(25)12-28-24(30-22)29-21-3-2-15(11-27-21)32-8-5-14(6-9-32)20(34)13-33/h2-3,10-12,14,33H,4-9,13H2,1H3,(H,26,35)(H,27,28,29,30).
What are the key properties of 2-[5-fluoro-2-[[5-[4-(2-hydroxyacetyl)piperidin-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-(2-hydroxyacetyl)piperidin-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 479.52 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[[5-[4-(2-hydroxyacetyl)piperidin-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 155203365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).