N-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide

C24H29N5O2S — CID 153334720

IUPACN-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide
SMILESCC(=O)c1cnn2ccc(C3CCN(Sc4ccc(NC(=O)CCCN)cc4)CC3)cc12
InChIInChI=1S/C24H29N5O2S/c1-17(30)22-16-26-29-14-10-19(15-23(22)29)18-8-12-28(13-9-18)32-21-6-4-20(5-7-21)27-24(31)3-2-11-25/h4-7,10,14-16,18H,2-3,8-9,11-13,25H2,1H3,(H,27,31)
InChIKeyBEQCYHMXWNDOBZ-UHFFFAOYSA-N
MW451.60 g/mol
LogP4.10
Rot. Bonds8

About N-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide

N-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide (PubChem CID 153334720) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is N-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide.

Molecular Properties

Compound NameN-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide
PubChem CID153334720
Molecular FormulaC24H29N5O2S
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC NameN-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide
SMILESCC(=O)c1cnn2ccc(C3CCN(Sc4ccc(NC(=O)CCCN)cc4)CC3)cc12
InChIInChI=1S/C24H29N5O2S/c1-17(30)22-16-26-29-14-10-19(15-23(22)29)18-8-12-28(13-9-18)32-21-6-4-20(5-7-21)27-24(31)3-2-11-25/h4-7,10,14-16,18H,2-3,8-9,11-13,25H2,1H3,(H,27,31)
InChIKeyBEQCYHMXWNDOBZ-UHFFFAOYSA-N
XLogP4.10
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[4-(4-aminobutanoylamino)phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 139391996
4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 119273782
cyclobutyl-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848877
1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
CID 50848813
1-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
CID 50848848
4-amino-N-(1-propan-2-ylindazol-6-yl)butanamide
CID 119308053
2-methyl-1-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
CID 50848846
N-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848979
ethyl 5-(3-cyclohexylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556537
methyl 2-[[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carbonyl]amino]propanoate
CID 50848690
(2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50849004
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide?
The IUPAC name of N-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide (CID 153334720) is N-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide.
What is the SMILES notation for N-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide?
The canonical SMILES for N-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide is CC(=O)c1cnn2ccc(C3CCN(Sc4ccc(NC(=O)CCCN)cc4)CC3)cc12.
What is the InChIKey of N-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide?
The InChIKey is BEQCYHMXWNDOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-17(30)22-16-26-29-14-10-19(15-23(22)29)18-8-12-28(13-9-18)32-21-6-4-20(5-7-21)27-24(31)3-2-11-25/h4-7,10,14-16,18H,2-3,8-9,11-13,25H2,1H3,(H,27,31).
What are the key properties of N-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide?
N-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide has a molecular weight of 451.60 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)piperidin-1-yl]sulfanylphenyl]-4-aminobutanamide is sourced from PubChem (CID 153334720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).