N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C22H28N4O — CID 6625439

IUPACN-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCCCc1ccccc1
InChIInChI=1S/C22H28N4O/c1-15-19(16(2)24-22-21(15)17(3)25-26(22)4)12-13-20(27)23-14-8-11-18-9-6-5-7-10-18/h5-7,9-10H,8,11-14H2,1-4H3,(H,23,27)
InChIKeyCCXZYEIVILLIMU-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.58
Rot. Bonds7

About N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 6625439) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID6625439
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCCCc1ccccc1
InChIInChI=1S/C22H28N4O/c1-15-19(16(2)24-22-21(15)17(3)25-26(22)4)12-13-20(27)23-14-8-11-18-9-6-5-7-10-18/h5-7,9-10H,8,11-14H2,1-4H3,(H,23,27)
InChIKeyCCXZYEIVILLIMU-UHFFFAOYSA-N
XLogP3.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24665768
N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604253
N-(2-methylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615757
3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 43042101
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615799
N-(4-methylphenyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604260
N-[2-(cyclohexen-1-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604257
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615848
N-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 42939395
N-(3-hydroxypropyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 78861649
3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid
CID 119351297
N-(2-methoxy-2-phenylethyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 60543932

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 6625439) is N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is CCXZYEIVILLIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-15-19(16(2)24-22-21(15)17(3)25-26(22)4)12-13-20(27)23-14-8-11-18-9-6-5-7-10-18/h5-7,9-10H,8,11-14H2,1-4H3,(H,23,27).
What are the key properties of N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 364.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 6625439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).