3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide

C25H30FN5O3 — CID 46324143

IUPAC3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
SMILESCc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NC(C)C(=O)N3CCCCC3)c(=O)c12
InChIInChI=1S/C25H30FN5O3/c1-16-18(3)31(20-9-7-8-19(26)14-20)23-22(16)25(34)30(15-27-23)13-10-21(32)28-17(2)24(33)29-11-5-4-6-12-29/h7-9,14-15,17H,4-6,10-13H2,1-3H3,(H,28,32)
InChIKeyYKYGLUHURRCPQH-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.85
Rot. Bonds6

About 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide

3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide (PubChem CID 46324143) has the molecular formula C25H30FN5O3 and a molecular weight of 467.55 g/mol. Its IUPAC name is 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
PubChem CID46324143
Molecular FormulaC25H30FN5O3
Molecular Weight467.55 g/mol
Exact Mass467.23
IUPAC Name3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
SMILESCc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NC(C)C(=O)N3CCCCC3)c(=O)c12
InChIInChI=1S/C25H30FN5O3/c1-16-18(3)31(20-9-7-8-19(26)14-20)23-22(16)25(34)30(15-27-23)13-10-21(32)28-17(2)24(33)29-11-5-4-6-12-29/h7-9,14-15,17H,4-6,10-13H2,1-3H3,(H,28,32)
InChIKeyYKYGLUHURRCPQH-UHFFFAOYSA-N
XLogP2.85
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide?
The IUPAC name of 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide (CID 46324143) is 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide is Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NC(C)C(=O)N3CCCCC3)c(=O)c12.
What is the InChIKey of 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide?
The InChIKey is YKYGLUHURRCPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O3/c1-16-18(3)31(20-9-7-8-19(26)14-20)23-22(16)25(34)30(15-27-23)13-10-21(32)28-17(2)24(33)29-11-5-4-6-12-29/h7-9,14-15,17H,4-6,10-13H2,1-3H3,(H,28,32).
What are the key properties of 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide?
3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide has a molecular weight of 467.55 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 46324143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).