2-[(2R)-2-ethylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide

C25H30FN5O4S — CID 155084123

About 2-[(2R)-2-ethylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide

2-[(2R)-2-ethylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide (PubChem CID 155084123) has the molecular formula C25H30FN5O4S and a molecular weight of 515.61 g/mol. Its IUPAC name is 2-[(2R)-2-ethylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(2R)-2-ethylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
• PubChem CID: 155084123
• Molecular Formula: C25H30FN5O4S
• Molecular Weight: 515.61 g/mol
• Exact Mass: 515.20
• IUPAC Name: 2-[(2R)-2-ethylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
• SMILES: CC[C@@H]1CCCN1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1ccn[nH]1
• InChI: InChI=1S/C25H30FN5O4S/c1-4-19-6-5-11-31(19)24-21(25(32)30-36(33,34)23-9-10-27-29-23)7-8-22(28-24)17-12-18(26)14-20(13-17)35-15-16(2)3/h7-10,12-14,16,19H,4-6,11,15H2,1-3H3,(H,27,29)(H,30,32)/t19-/m1/s1
• InChIKey: RAJMEILZVONXMA-LJQANCHMSA-N
• XLogP: 4.14
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.61
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-ethylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?

The IUPAC name of 2-[(2R)-2-ethylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide (CID 155084123) is 2-[(2R)-2-ethylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide.

What is the SMILES notation for 2-[(2R)-2-ethylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?

The canonical SMILES for 2-[(2R)-2-ethylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide is CC[C@@H]1CCCN1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1ccn[nH]1.

What is the InChIKey of 2-[(2R)-2-ethylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?

The InChIKey is RAJMEILZVONXMA-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30FN5O4S/c1-4-19-6-5-11-31(19)24-21(25(32)30-36(33,34)23-9-10-27-29-23)7-8-22(28-24)17-12-18(26)14-20(13-17)35-15-16(2)3/h7-10,12-14,16,19H,4-6,11,15H2,1-3H3,(H,27,29)(H,30,32)/t19-/m1/s1.

What are the key properties of 2-[(2R)-2-ethylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?

2-[(2R)-2-ethylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide has a molecular weight of 515.61 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-2-ethylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 155084123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).