N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide

C25H25F3N6O3 — CID 121231232

About N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide

N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide (PubChem CID 121231232) has the molecular formula C25H25F3N6O3 and a molecular weight of 514.51 g/mol. Its IUPAC name is N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide
• PubChem CID: 121231232
• Molecular Formula: C25H25F3N6O3
• Molecular Weight: 514.51 g/mol
• Exact Mass: 514.19
• IUPAC Name: N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide
• SMILES: CC(C)n1ncc(CC(=O)Nc2cncc(C(=O)c3cn(C(C)CO)c4ccncc34)c2)c1C(F)(F)F
• InChI: InChI=1S/C25H25F3N6O3/c1-14(2)34-24(25(26,27)28)17(9-31-34)7-22(36)32-18-6-16(8-30-10-18)23(37)20-12-33(15(3)13-35)21-4-5-29-11-19(20)21/h4-6,8-12,14-15,35H,7,13H2,1-3H3,(H,32,36)
• InChIKey: BOQVOVHKHULPLY-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 114.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.51
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide?

The IUPAC name of N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide (CID 121231232) is N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide.

What is the SMILES notation for N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide?

The canonical SMILES for N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide is CC(C)n1ncc(CC(=O)Nc2cncc(C(=O)c3cn(C(C)CO)c4ccncc34)c2)c1C(F)(F)F.

What is the InChIKey of N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide?

The InChIKey is BOQVOVHKHULPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O3/c1-14(2)34-24(25(26,27)28)17(9-31-34)7-22(36)32-18-6-16(8-30-10-18)23(37)20-12-33(15(3)13-35)21-4-5-29-11-19(20)21/h4-6,8-12,14-15,35H,7,13H2,1-3H3,(H,32,36).

What are the key properties of N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide?

N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide has a molecular weight of 514.51 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 121231232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).