N-[[6-(3-cyclopropyloxypyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-4-sulfonamide

C23H31N7O4S — CID 142372573

About N-[[6-(3-cyclopropyloxypyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-4-sulfonamide

N-[[6-(3-cyclopropyloxypyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 142372573) has the molecular formula C23H31N7O4S and a molecular weight of 501.61 g/mol. Its IUPAC name is N-[[6-(3-cyclopropyloxypyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-[[6-(3-cyclopropyloxypyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-4-sulfonamide
• PubChem CID: 142372573
• Molecular Formula: C23H31N7O4S
• Molecular Weight: 501.61 g/mol
• Exact Mass: 501.22
• IUPAC Name: N-[[6-(3-cyclopropyloxypyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-4-sulfonamide
• SMILES: C[C@@H]1CN(c2nc(-n3ccc(OC4CC4)n3)ccc2C(O)NS(=O)(=O)c2cnn(C)c2)C(C)(C)C1
• InChI: InChI=1S/C23H31N7O4S/c1-15-11-23(2,3)29(13-15)21-18(22(31)27-35(32,33)17-12-24-28(4)14-17)7-8-19(25-21)30-10-9-20(26-30)34-16-5-6-16/h7-10,12,14-16,22,27,31H,5-6,11,13H2,1-4H3/t15-,22?/m0/s1
• InChIKey: ADNWWGBJVIRDAU-UEDXYCIISA-N
• XLogP: 2.14
• TPSA: 127.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.61
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-cyclopropyloxypyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-4-sulfonamide?

The IUPAC name of N-[[6-(3-cyclopropyloxypyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-4-sulfonamide (CID 142372573) is N-[[6-(3-cyclopropyloxypyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-4-sulfonamide.

What is the SMILES notation for N-[[6-(3-cyclopropyloxypyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-4-sulfonamide?

The canonical SMILES for N-[[6-(3-cyclopropyloxypyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-4-sulfonamide is C[C@@H]1CN(c2nc(-n3ccc(OC4CC4)n3)ccc2C(O)NS(=O)(=O)c2cnn(C)c2)C(C)(C)C1.

What is the InChIKey of N-[[6-(3-cyclopropyloxypyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-4-sulfonamide?

The InChIKey is ADNWWGBJVIRDAU-UEDXYCIISA-N. The full InChI is InChI=1S/C23H31N7O4S/c1-15-11-23(2,3)29(13-15)21-18(22(31)27-35(32,33)17-12-24-28(4)14-17)7-8-19(25-21)30-10-9-20(26-30)34-16-5-6-16/h7-10,12,14-16,22,27,31H,5-6,11,13H2,1-4H3/t15-,22?/m0/s1.

What are the key properties of N-[[6-(3-cyclopropyloxypyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-4-sulfonamide?

N-[[6-(3-cyclopropyloxypyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 501.61 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(3-cyclopropyloxypyrazol-1-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 142372573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).