N-[1-[2-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide

C27H33N5O3 — CID 176889134

About N-[1-[2-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide

N-[1-[2-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide (PubChem CID 176889134) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[1-[2-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[2-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
• PubChem CID: 176889134
• Molecular Formula: C27H33N5O3
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.26
• IUPAC Name: N-[1-[2-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
• SMILES: COC1(C(=O)C2CC2)CCN(c2cc(N3CC4(CC4)c4cnc(NC(C)=O)cc43)cc(C)n2)CC1
• InChI: InChI=1S/C27H33N5O3/c1-17-12-20(32-16-26(6-7-26)21-15-28-23(14-22(21)32)30-18(2)33)13-24(29-17)31-10-8-27(35-3,9-11-31)25(34)19-4-5-19/h12-15,19H,4-11,16H2,1-3H3,(H,28,30,33)
• InChIKey: HTTSHSKOFBHCGS-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?

The IUPAC name of N-[1-[2-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide (CID 176889134) is N-[1-[2-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide.

What is the SMILES notation for N-[1-[2-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?

The canonical SMILES for N-[1-[2-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide is COC1(C(=O)C2CC2)CCN(c2cc(N3CC4(CC4)c4cnc(NC(C)=O)cc43)cc(C)n2)CC1.

What is the InChIKey of N-[1-[2-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?

The InChIKey is HTTSHSKOFBHCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-17-12-20(32-16-26(6-7-26)21-15-28-23(14-22(21)32)30-18(2)33)13-24(29-17)31-10-8-27(35-3,9-11-31)25(34)19-4-5-19/h12-15,19H,4-11,16H2,1-3H3,(H,28,30,33).

What are the key properties of N-[1-[2-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?

N-[1-[2-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide has a molecular weight of 475.59 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide is sourced from PubChem (CID 176889134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).