4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[2-fluoro-4-[(2-methoxyacetyl)amino]cyclopentyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

C27H32FN5O4 — CID 67956726

About 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[2-fluoro-4-[(2-methoxyacetyl)amino]cyclopentyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[2-fluoro-4-[(2-methoxyacetyl)amino]cyclopentyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (PubChem CID 67956726) has the molecular formula C27H32FN5O4 and a molecular weight of 509.58 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[2-fluoro-4-[(2-methoxyacetyl)amino]cyclopentyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[2-fluoro-4-[(2-methoxyacetyl)amino]cyclopentyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
• PubChem CID: 67956726
• Molecular Formula: C27H32FN5O4
• Molecular Weight: 509.58 g/mol
• Exact Mass: 509.24
• IUPAC Name: 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[2-fluoro-4-[(2-methoxyacetyl)amino]cyclopentyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
• SMILES: COCC(=O)NC1CC(F)C(NC(=O)c2c(C)[nH]c3c(-c4cc(C)ccc4OCC4CC4)ncnc23)C1
• InChI: InChI=1S/C27H32FN5O4/c1-14-4-7-21(37-11-16-5-6-16)18(8-14)24-26-25(30-13-29-24)23(15(2)31-26)27(35)33-20-10-17(9-19(20)28)32-22(34)12-36-3/h4,7-8,13,16-17,19-20,31H,5-6,9-12H2,1-3H3,(H,32,34)(H,33,35)
• InChIKey: SBDZGWKILVFHPC-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 118.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.58
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[2-fluoro-4-[(2-methoxyacetyl)amino]cyclopentyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?

The IUPAC name of 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[2-fluoro-4-[(2-methoxyacetyl)amino]cyclopentyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (CID 67956726) is 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[2-fluoro-4-[(2-methoxyacetyl)amino]cyclopentyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.

What is the SMILES notation for 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[2-fluoro-4-[(2-methoxyacetyl)amino]cyclopentyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?

The canonical SMILES for 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[2-fluoro-4-[(2-methoxyacetyl)amino]cyclopentyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is COCC(=O)NC1CC(F)C(NC(=O)c2c(C)[nH]c3c(-c4cc(C)ccc4OCC4CC4)ncnc23)C1.

What is the InChIKey of 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[2-fluoro-4-[(2-methoxyacetyl)amino]cyclopentyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?

The InChIKey is SBDZGWKILVFHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O4/c1-14-4-7-21(37-11-16-5-6-16)18(8-14)24-26-25(30-13-29-24)23(15(2)31-26)27(35)33-20-10-17(9-19(20)28)32-22(34)12-36-3/h4,7-8,13,16-17,19-20,31H,5-6,9-12H2,1-3H3,(H,32,34)(H,33,35).

What are the key properties of 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[2-fluoro-4-[(2-methoxyacetyl)amino]cyclopentyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?

4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[2-fluoro-4-[(2-methoxyacetyl)amino]cyclopentyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 509.58 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[2-fluoro-4-[(2-methoxyacetyl)amino]cyclopentyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 67956726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).