5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide

C21H21F2N7O — CID 142463221

IUPAC5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCNC(=O)n1cc(-c2ncc3c(F)cn(CC4CCCCN4)c3n2)c2cc(F)cnc21
InChIInChI=1S/C21H21F2N7O/c1-24-21(31)30-10-16(14-6-12(22)7-27-19(14)30)18-26-8-15-17(23)11-29(20(15)28-18)9-13-4-2-3-5-25-13/h6-8,10-11,13,25H,2-5,9H2,1H3,(H,24,31)
InChIKeyZRXVGRJODQNQTM-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.06
Rot. Bonds3

About 5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide

5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 142463221) has the molecular formula C21H21F2N7O and a molecular weight of 425.44 g/mol. Its IUPAC name is 5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide
PubChem CID142463221
Molecular FormulaC21H21F2N7O
Molecular Weight425.44 g/mol
Exact Mass425.18
IUPAC Name5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCNC(=O)n1cc(-c2ncc3c(F)cn(CC4CCCCN4)c3n2)c2cc(F)cnc21
InChIInChI=1S/C21H21F2N7O/c1-24-21(31)30-10-16(14-6-12(22)7-27-19(14)30)18-26-8-15-17(23)11-29(20(15)28-18)9-13-4-2-3-5-25-13/h6-8,10-11,13,25H,2-5,9H2,1H3,(H,24,31)
InChIKeyZRXVGRJODQNQTM-UHFFFAOYSA-N
XLogP3.06
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide 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 5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide?
The IUPAC name of 5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide (CID 142463221) is 5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide.
What is the SMILES notation for 5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide?
The canonical SMILES for 5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide is CNC(=O)n1cc(-c2ncc3c(F)cn(CC4CCCCN4)c3n2)c2cc(F)cnc21.
What is the InChIKey of 5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide?
The InChIKey is ZRXVGRJODQNQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O/c1-24-21(31)30-10-16(14-6-12(22)7-27-19(14)30)18-26-8-15-17(23)11-29(20(15)28-18)9-13-4-2-3-5-25-13/h6-8,10-11,13,25H,2-5,9H2,1H3,(H,24,31).
What are the key properties of 5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide?
5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 425.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 142463221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).