4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C25H30FN9O — CID 138487951

IUPAC4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1C(=O)Nc2ncnc(N3CCN(c4nc(-c5cncc(F)c5)ccc4NCCN(C)C)CC3)c21
InChIInChI=1S/C25H30FN9O/c1-16-21-22(32-25(16)36)29-15-30-24(21)35-10-8-34(9-11-35)23-20(28-6-7-33(2)3)5-4-19(31-23)17-12-18(26)14-27-13-17/h4-5,12-16,28H,6-11H2,1-3H3,(H,29,30,32,36)
InChIKeyGPFHLXMWVVJSMQ-UHFFFAOYSA-N
MW491.58 g/mol
LogP2.43
Rot. Bonds7

About 4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 138487951) has the molecular formula C25H30FN9O and a molecular weight of 491.58 g/mol. Its IUPAC name is 4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID138487951
Molecular FormulaC25H30FN9O
Molecular Weight491.58 g/mol
Exact Mass491.26
IUPAC Name4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1C(=O)Nc2ncnc(N3CCN(c4nc(-c5cncc(F)c5)ccc4NCCN(C)C)CC3)c21
InChIInChI=1S/C25H30FN9O/c1-16-21-22(32-25(16)36)29-15-30-24(21)35-10-8-34(9-11-35)23-20(28-6-7-33(2)3)5-4-19(31-23)17-12-18(26)14-27-13-17/h4-5,12-16,28H,6-11H2,1-3H3,(H,29,30,32,36)
InChIKeyGPFHLXMWVVJSMQ-UHFFFAOYSA-N
XLogP2.43
TPSA102.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.58
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 138487951) is 4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is CC1C(=O)Nc2ncnc(N3CCN(c4nc(-c5cncc(F)c5)ccc4NCCN(C)C)CC3)c21.
What is the InChIKey of 4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is GPFHLXMWVVJSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN9O/c1-16-21-22(32-25(16)36)29-15-30-24(21)35-10-8-34(9-11-35)23-20(28-6-7-33(2)3)5-4-19(31-23)17-12-18(26)14-27-13-17/h4-5,12-16,28H,6-11H2,1-3H3,(H,29,30,32,36).
What are the key properties of 4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 491.58 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[2-(dimethylamino)ethylamino]-6-(5-fluoro-3-pyridinyl)-2-pyridinyl]piperazin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 138487951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).