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

C27H30N4O4S — CID 167434382

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

N-cyclopropyl-4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)-4-methylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167434382) has the molecular formula C27H30N4O4S and a molecular weight of 506.63 g/mol. Its IUPAC name is N-cyclopropyl-4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)-4-methylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)-4-methylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 167434382
• Molecular Formula: C27H30N4O4S
• Molecular Weight: 506.63 g/mol
• Exact Mass: 506.20
• IUPAC Name: N-cyclopropyl-4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)-4-methylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: Cc1cc(C)nc(Oc2c(-c3cn(C)c(=O)c4[nH]c(C(=O)NC5CC5)cc34)sc(C(C)(C)O)c2C)c1
• InChI: InChI=1S/C27H30N4O4S/c1-13-9-14(2)28-20(10-13)35-22-15(3)24(27(4,5)34)36-23(22)18-12-31(6)26(33)21-17(18)11-19(30-21)25(32)29-16-7-8-16/h9-12,16,30,34H,7-8H2,1-6H3,(H,29,32)
• InChIKey: ZWWOCFVGEKLEIU-UHFFFAOYSA-N
• XLogP: 4.83
• 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	506.63
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)-4-methylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167434382) is N-cyclopropyl-4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)-4-methylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

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

The canonical SMILES for N-cyclopropyl-4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)-4-methylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cc1cc(C)nc(Oc2c(-c3cn(C)c(=O)c4[nH]c(C(=O)NC5CC5)cc34)sc(C(C)(C)O)c2C)c1.

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

The InChIKey is ZWWOCFVGEKLEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4S/c1-13-9-14(2)28-20(10-13)35-22-15(3)24(27(4,5)34)36-23(22)18-12-31(6)26(33)21-17(18)11-19(30-21)25(32)29-16-7-8-16/h9-12,16,30,34H,7-8H2,1-6H3,(H,29,32).

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

N-cyclopropyl-4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)-4-methylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 506.63 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)-4-methylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167434382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).