5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]pyridine-3-sulfonamide

About 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]pyridine-3-sulfonamide

5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]pyridine-3-sulfonamide (PubChem CID 156600272) has the molecular formula C26H33N5O4S and a molecular weight of 511.65 g/mol. Its IUPAC name is 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name	5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]pyridine-3-sulfonamide
PubChem CID	156600272
Molecular Formula	C26H33N5O4S
Molecular Weight	511.65 g/mol
Exact Mass	511.23
IUPAC Name	5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]pyridine-3-sulfonamide
SMILES	COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(C#CCN2CCN(C(C)C)CC2)c1
InChI	InChI=1S/C26H33N5O4S/c1-20(2)31-11-9-30(10-12-31)8-4-5-21-15-24(19-27-17-21)29-36(32,33)25-16-23(18-28-26(25)34-3)22-6-13-35-14-7-22/h6,15-20,29H,7-14H2,1-3H3
InChIKey	WSRDHUWKQAFXNI-UHFFFAOYSA-N
XLogP	2.47
TPSA	96.89 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.65
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]pyridine-3-sulfonamide?

The IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]pyridine-3-sulfonamide (CID 156600272) is 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]pyridine-3-sulfonamide.

What is the SMILES notation for 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]pyridine-3-sulfonamide?

The canonical SMILES for 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]pyridine-3-sulfonamide is COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1cncc(C#CCN2CCN(C(C)C)CC2)c1.

What is the InChIKey of 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]pyridine-3-sulfonamide?

The InChIKey is WSRDHUWKQAFXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4S/c1-20(2)31-11-9-30(10-12-31)8-4-5-21-15-24(19-27-17-21)29-36(32,33)25-16-23(18-28-26(25)34-3)22-6-13-35-14-7-22/h6,15-20,29H,7-14H2,1-3H3.

What are the key properties of 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]pyridine-3-sulfonamide?

5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 511.65 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 156600272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).