5-[1-[4-(4-aminobutanoylamino)phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide

C27H36N6O4S — CID 139391996

IUPAC5-[1-[4-(4-aminobutanoylamino)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)CCCN)cc4)CC3)cc12
InChIInChI=1S/C27H36N6O4S/c1-3-31(4-2)27(35)24-19-29-33-17-13-21(18-25(24)33)20-11-15-32(16-12-20)38(36,37)23-9-7-22(8-10-23)30-26(34)6-5-14-28/h7-10,13,17-20H,3-6,11-12,14-16,28H2,1-2H3,(H,30,34)
InChIKeyLFRMWNNFCFJOGO-UHFFFAOYSA-N
MW540.69 g/mol
LogP3.06
Rot. Bonds10

About 5-[1-[4-(4-aminobutanoylamino)phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide

5-[1-[4-(4-aminobutanoylamino)phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 139391996) has the molecular formula C27H36N6O4S and a molecular weight of 540.69 g/mol. Its IUPAC name is 5-[1-[4-(4-aminobutanoylamino)phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[1-[4-(4-aminobutanoylamino)phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID139391996
Molecular FormulaC27H36N6O4S
Molecular Weight540.69 g/mol
Exact Mass540.25
IUPAC Name5-[1-[4-(4-aminobutanoylamino)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)CCCN)cc4)CC3)cc12
InChIInChI=1S/C27H36N6O4S/c1-3-31(4-2)27(35)24-19-29-33-17-13-21(18-25(24)33)20-11-15-32(16-12-20)38(36,37)23-9-7-22(8-10-23)30-26(34)6-5-14-28/h7-10,13,17-20H,3-6,11-12,14-16,28H2,1-2H3,(H,30,34)
InChIKeyLFRMWNNFCFJOGO-UHFFFAOYSA-N
XLogP3.06
TPSA130.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.69
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-5-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 50848703
N-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide
CID 153334720
N-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide
CID 139392265
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
[5-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50848895
[5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 50848762
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
[5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone
CID 50849054
4-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704501
4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride
CID 119992821
4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide
CID 139392137
1-methyl-3-[4-[4-[3-(4-methylpiperidine-1-carbonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]urea
CID 157102717

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(4-aminobutanoylamino)phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[1-[4-(4-aminobutanoylamino)phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 139391996) is 5-[1-[4-(4-aminobutanoylamino)phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[1-[4-(4-aminobutanoylamino)phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[1-[4-(4-aminobutanoylamino)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)CCCN)cc4)CC3)cc12.
What is the InChIKey of 5-[1-[4-(4-aminobutanoylamino)phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is LFRMWNNFCFJOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O4S/c1-3-31(4-2)27(35)24-19-29-33-17-13-21(18-25(24)33)20-11-15-32(16-12-20)38(36,37)23-9-7-22(8-10-23)30-26(34)6-5-14-28/h7-10,13,17-20H,3-6,11-12,14-16,28H2,1-2H3,(H,30,34).
What are the key properties of 5-[1-[4-(4-aminobutanoylamino)phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[1-[4-(4-aminobutanoylamino)phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 540.69 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(4-aminobutanoylamino)phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 139391996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).