5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide

C50H59N9O7S2 — CID 139405929

IUPAC5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc(NC(=O)CC5CCN(C(=O)c6cnn7ccc(C8CCN(S(=O)(=O)Cc9ccccc9)CC8)cc67)CC5)cc4)CC3)cc12
InChIInChI=1S/C50H59N9O7S2/c1-3-54(4-2)49(61)44-33-51-58-28-21-41(31-46(44)58)39-18-26-57(27-19-39)68(65,66)43-12-10-42(11-13-43)53-48(60)30-36-14-22-55(23-15-36)50(62)45-34-52-59-29-20-40(32-47(45)59)38-16-24-56(25-17-38)67(63,64)35-37-8-6-5-7-9-37/h5-13,20-21,28-29,31-34,36,38-39H,3-4,14-19,22-27,30,35H2,1-2H3,(H,53,60)
InChIKeyJIURAEOUNMAINI-UHFFFAOYSA-N
MW962.21 g/mol
LogP6.62
Rot. Bonds14

About 5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide

5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 139405929) has the molecular formula C50H59N9O7S2 and a molecular weight of 962.21 g/mol. Its IUPAC name is 5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID139405929
Molecular FormulaC50H59N9O7S2
Molecular Weight962.21 g/mol
Exact Mass961.40
IUPAC Name5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc(NC(=O)CC5CCN(C(=O)c6cnn7ccc(C8CCN(S(=O)(=O)Cc9ccccc9)CC8)cc67)CC5)cc4)CC3)cc12
InChIInChI=1S/C50H59N9O7S2/c1-3-54(4-2)49(61)44-33-51-58-28-21-41(31-46(44)58)39-18-26-57(27-19-39)68(65,66)43-12-10-42(11-13-43)53-48(60)30-36-14-22-55(23-15-36)50(62)45-34-52-59-29-20-40(32-47(45)59)38-16-24-56(25-17-38)67(63,64)35-37-8-6-5-7-9-37/h5-13,20-21,28-29,31-34,36,38-39H,3-4,14-19,22-27,30,35H2,1-2H3,(H,53,60)
InChIKeyJIURAEOUNMAINI-UHFFFAOYSA-N
XLogP6.62
TPSA179.08 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500962.21
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 139405929) is 5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide is CCN(CC)C(=O)c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc(NC(=O)CC5CCN(C(=O)c6cnn7ccc(C8CCN(S(=O)(=O)Cc9ccccc9)CC8)cc67)CC5)cc4)CC3)cc12.
What is the InChIKey of 5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JIURAEOUNMAINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H59N9O7S2/c1-3-54(4-2)49(61)44-33-51-58-28-21-41(31-46(44)58)39-18-26-57(27-19-39)68(65,66)43-12-10-42(11-13-43)53-48(60)30-36-14-22-55(23-15-36)50(62)45-34-52-59-29-20-40(32-47(45)59)38-16-24-56(25-17-38)67(63,64)35-37-8-6-5-7-9-37/h5-13,20-21,28-29,31-34,36,38-39H,3-4,14-19,22-27,30,35H2,1-2H3,(H,53,60).
What are the key properties of 5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 962.21 g/mol, XLogP of 6.62, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-[[2-[1-[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonyl]piperidin-4-yl]acetyl]amino]phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 139405929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).