2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-5-morpholin-4-ylpyridine-3-sulfonamide

C27H34N6O4S — CID 137442581

IUPAC2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-5-morpholin-4-ylpyridine-3-sulfonamide
SMILESCOc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCN(C)CC3)cc2)c1
InChIInChI=1S/C27H34N6O4S/c1-31-7-9-32(10-8-31)20-21-3-5-22(6-4-21)23-15-24(18-28-17-23)30-38(34,35)26-16-25(19-29-27(26)36-2)33-11-13-37-14-12-33/h3-6,15-19,30H,7-14,20H2,1-2H3
InChIKeyBMDVWPNELYJMID-UHFFFAOYSA-N
MW538.67 g/mol
LogP2.54
Rot. Bonds8

About 2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-5-morpholin-4-ylpyridine-3-sulfonamide

2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-5-morpholin-4-ylpyridine-3-sulfonamide (PubChem CID 137442581) has the molecular formula C27H34N6O4S and a molecular weight of 538.67 g/mol. Its IUPAC name is 2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-5-morpholin-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-5-morpholin-4-ylpyridine-3-sulfonamide
PubChem CID137442581
Molecular FormulaC27H34N6O4S
Molecular Weight538.67 g/mol
Exact Mass538.24
IUPAC Name2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-5-morpholin-4-ylpyridine-3-sulfonamide
SMILESCOc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCN(C)CC3)cc2)c1
InChIInChI=1S/C27H34N6O4S/c1-31-7-9-32(10-8-31)20-21-3-5-22(6-4-21)23-15-24(18-28-17-23)30-38(34,35)26-16-25(19-29-27(26)36-2)33-11-13-37-14-12-33/h3-6,15-19,30H,7-14,20H2,1-2H3
InChIKeyBMDVWPNELYJMID-UHFFFAOYSA-N
XLogP2.54
TPSA100.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.67
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-methoxy-5-morpholin-4-yl-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyridine-3-sulfonamide
CID 164621493
N-[5-[2-fluoro-4-[[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methyl]phenyl]-3-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 137442765
2-methoxy-5-morpholin-4-yl-N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide
CID 130302803
N-[2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 130332656
N-[2-[2,6-difluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 130302685
N-[2-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 130302663
N-[2-[2-fluoro-4-(piperazin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 130332501
N-[2-[2-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 130302703
5-chloro-2-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzenesulfonamide
CID 71730050
5-[4-[(dimethylamino)methyl]phenyl]-N-[(2-ethoxy-5-morpholin-4-yl-3-pyridinyl)sulfanyl]pyridin-3-amine
CID 142521409
5-chloro-N-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
CID 130332651
5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
CID 130302764

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-5-morpholin-4-ylpyridine-3-sulfonamide?
The IUPAC name of 2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-5-morpholin-4-ylpyridine-3-sulfonamide (CID 137442581) is 2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-5-morpholin-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for 2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-5-morpholin-4-ylpyridine-3-sulfonamide?
The canonical SMILES for 2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-5-morpholin-4-ylpyridine-3-sulfonamide is COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1cncc(-c2ccc(CN3CCN(C)CC3)cc2)c1.
What is the InChIKey of 2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-5-morpholin-4-ylpyridine-3-sulfonamide?
The InChIKey is BMDVWPNELYJMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4S/c1-31-7-9-32(10-8-31)20-21-3-5-22(6-4-21)23-15-24(18-28-17-23)30-38(34,35)26-16-25(19-29-27(26)36-2)33-11-13-37-14-12-33/h3-6,15-19,30H,7-14,20H2,1-2H3.
What are the key properties of 2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-5-morpholin-4-ylpyridine-3-sulfonamide?
2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-5-morpholin-4-ylpyridine-3-sulfonamide has a molecular weight of 538.67 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-5-morpholin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 137442581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).