4-[3-[(3,5-dimethyl-4-pyridinyl)oxy]-4-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C26H29FN4O4S — CID 167434287

About 4-[3-[(3,5-dimethyl-4-pyridinyl)oxy]-4-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[3-[(3,5-dimethyl-4-pyridinyl)oxy]-4-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167434287) has the molecular formula C26H29FN4O4S and a molecular weight of 512.61 g/mol. Its IUPAC name is 4-[3-[(3,5-dimethyl-4-pyridinyl)oxy]-4-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[3-[(3,5-dimethyl-4-pyridinyl)oxy]-4-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 167434287
• Molecular Formula: C26H29FN4O4S
• Molecular Weight: 512.61 g/mol
• Exact Mass: 512.19
• IUPAC Name: 4-[3-[(3,5-dimethyl-4-pyridinyl)oxy]-4-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: Cc1cncc(C)c1Oc1c(-c2cn(C)c(=O)c3[nH]c(C(=O)NC(C)C)cc23)sc(C(C)(C)O)c1F
• InChI: InChI=1S/C26H29FN4O4S/c1-12(2)29-24(32)17-8-15-16(11-31(7)25(33)19(15)30-17)22-21(18(27)23(36-22)26(5,6)34)35-20-13(3)9-28-10-14(20)4/h8-12,30,34H,1-7H3,(H,29,32)
• InChIKey: AMDYUMDJCTYEKG-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 109.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.61
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3,5-dimethyl-4-pyridinyl)oxy]-4-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 4-[3-[(3,5-dimethyl-4-pyridinyl)oxy]-4-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167434287) is 4-[3-[(3,5-dimethyl-4-pyridinyl)oxy]-4-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 4-[3-[(3,5-dimethyl-4-pyridinyl)oxy]-4-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 4-[3-[(3,5-dimethyl-4-pyridinyl)oxy]-4-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cc1cncc(C)c1Oc1c(-c2cn(C)c(=O)c3[nH]c(C(=O)NC(C)C)cc23)sc(C(C)(C)O)c1F.

What is the InChIKey of 4-[3-[(3,5-dimethyl-4-pyridinyl)oxy]-4-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is AMDYUMDJCTYEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O4S/c1-12(2)29-24(32)17-8-15-16(11-31(7)25(33)19(15)30-17)22-21(18(27)23(36-22)26(5,6)34)35-20-13(3)9-28-10-14(20)4/h8-12,30,34H,1-7H3,(H,29,32).

What are the key properties of 4-[3-[(3,5-dimethyl-4-pyridinyl)oxy]-4-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

4-[3-[(3,5-dimethyl-4-pyridinyl)oxy]-4-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 512.61 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(3,5-dimethyl-4-pyridinyl)oxy]-4-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167434287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).