N-[cyano-(1-methylpyrrolo[3,2-c]pyridin-7-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide

C26H37F3N6O3 — CID 167522698

About N-[cyano-(1-methylpyrrolo[3,2-c]pyridin-7-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide

N-[cyano-(1-methylpyrrolo[3,2-c]pyridin-7-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide (PubChem CID 167522698) has the molecular formula C26H37F3N6O3 and a molecular weight of 538.62 g/mol. Its IUPAC name is N-[cyano-(1-methylpyrrolo[3,2-c]pyridin-7-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[cyano-(1-methylpyrrolo[3,2-c]pyridin-7-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
• PubChem CID: 167522698
• Molecular Formula: C26H37F3N6O3
• Molecular Weight: 538.62 g/mol
• Exact Mass: 538.29
• IUPAC Name: N-[cyano-(1-methylpyrrolo[3,2-c]pyridin-7-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
• SMILES: CC(C)C.C[C@H]1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.Cn1ccc2cncc(C(C#N)NC=O)c21
• InChI: InChI=1S/C11H17F3N2O2.C11H10N4O.C4H10/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;1-15-3-2-8-5-13-6-9(11(8)15)10(4-12)14-7-16;1-4(2)3/h7H,4-6H2,1-3H3,(H,15,18);2-3,5-7,10H,1H3,(H,14,16);4H,1-3H3/t7-;;/m0../s1
• InChIKey: JOWCKZWWZHXFJX-KLXURFKVSA-N
• XLogP: 3.72
• TPSA: 120.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.62
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(1-methylpyrrolo[3,2-c]pyridin-7-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?

The IUPAC name of N-[cyano-(1-methylpyrrolo[3,2-c]pyridin-7-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide (CID 167522698) is N-[cyano-(1-methylpyrrolo[3,2-c]pyridin-7-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide.

What is the SMILES notation for N-[cyano-(1-methylpyrrolo[3,2-c]pyridin-7-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?

The canonical SMILES for N-[cyano-(1-methylpyrrolo[3,2-c]pyridin-7-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide is CC(C)C.C[C@H]1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.Cn1ccc2cncc(C(C#N)NC=O)c21.

What is the InChIKey of N-[cyano-(1-methylpyrrolo[3,2-c]pyridin-7-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?

The InChIKey is JOWCKZWWZHXFJX-KLXURFKVSA-N. The full InChI is InChI=1S/C11H17F3N2O2.C11H10N4O.C4H10/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14;1-15-3-2-8-5-13-6-9(11(8)15)10(4-12)14-7-16;1-4(2)3/h7H,4-6H2,1-3H3,(H,15,18);2-3,5-7,10H,1H3,(H,14,16);4H,1-3H3/t7-;;/m0../s1.

What are the key properties of N-[cyano-(1-methylpyrrolo[3,2-c]pyridin-7-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide?

N-[cyano-(1-methylpyrrolo[3,2-c]pyridin-7-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide has a molecular weight of 538.62 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[cyano-(1-methylpyrrolo[3,2-c]pyridin-7-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 167522698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).