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

C24H28FN7O2 — CID 155203401

IUPAC2-[5-fluoro-2-[[5-[4-(2-hydroxyethyl)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(CCO)CC4)cn3)ncc2F)cc2c1CCNC2=O
InChIInChI=1S/C24H28FN7O2/c1-31-19-4-8-26-23(34)17(19)12-20(31)22-18(25)14-28-24(30-22)29-21-3-2-16(13-27-21)32-9-5-15(6-10-32)7-11-33/h2-3,12-15,33H,4-11H2,1H3,(H,26,34)(H,27,28,29,30)
InChIKeyXYKZPGMIFDJFJP-UHFFFAOYSA-N
MW465.53 g/mol
LogP2.64
Rot. Bonds6

About 2-[5-fluoro-2-[[5-[4-(2-hydroxyethyl)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-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 155203401) has the molecular formula C24H28FN7O2 and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-[5-fluoro-2-[[5-[4-(2-hydroxyethyl)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-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID155203401
Molecular FormulaC24H28FN7O2
Molecular Weight465.53 g/mol
Exact Mass465.23
IUPAC Name2-[5-fluoro-2-[[5-[4-(2-hydroxyethyl)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(CCO)CC4)cn3)ncc2F)cc2c1CCNC2=O
InChIInChI=1S/C24H28FN7O2/c1-31-19-4-8-26-23(34)17(19)12-20(31)22-18(25)14-28-24(30-22)29-21-3-2-16(13-27-21)32-9-5-15(6-10-32)7-11-33/h2-3,12-15,33H,4-11H2,1H3,(H,26,34)(H,27,28,29,30)
InChIKeyXYKZPGMIFDJFJP-UHFFFAOYSA-N
XLogP2.64
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[5-fluoro-2-[[5-[4-(2-hydroxyethyl)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-hydroxyethyl)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-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 155203401) is 2-[5-fluoro-2-[[5-[4-(2-hydroxyethyl)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-hydroxyethyl)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-hydroxyethyl)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(CCO)CC4)cn3)ncc2F)cc2c1CCNC2=O.
What is the InChIKey of 2-[5-fluoro-2-[[5-[4-(2-hydroxyethyl)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 XYKZPGMIFDJFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O2/c1-31-19-4-8-26-23(34)17(19)12-20(31)22-18(25)14-28-24(30-22)29-21-3-2-16(13-27-21)32-9-5-15(6-10-32)7-11-33/h2-3,12-15,33H,4-11H2,1H3,(H,26,34)(H,27,28,29,30).
What are the key properties of 2-[5-fluoro-2-[[5-[4-(2-hydroxyethyl)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-hydroxyethyl)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 465.53 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[[5-[4-(2-hydroxyethyl)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 155203401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).