N-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide

C21H27N5O2 — CID 119438546

IUPACN-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCCNCc1cccc(NC(=O)CCc2c(C)nc3c(c2C)c(=O)[nH]n3C)c1
InChIInChI=1S/C21H27N5O2/c1-5-22-12-15-7-6-8-16(11-15)24-18(27)10-9-17-13(2)19-20(23-14(17)3)26(4)25-21(19)28/h6-8,11,22H,5,9-10,12H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyZNTNNPFEOFLQCK-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.56
Rot. Bonds7

About N-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide

N-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide (PubChem CID 119438546) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
PubChem CID119438546
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCCNCc1cccc(NC(=O)CCc2c(C)nc3c(c2C)c(=O)[nH]n3C)c1
InChIInChI=1S/C21H27N5O2/c1-5-22-12-15-7-6-8-16(11-15)24-18(27)10-9-17-13(2)19-20(23-14(17)3)26(4)25-21(19)28/h6-8,11,22H,5,9-10,12H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyZNTNNPFEOFLQCK-UHFFFAOYSA-N
XLogP2.56
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119440528
3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoic acid
CID 39869734
N-[3-(methylamino)propyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119433515
4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid
CID 119357388
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 120883017
N-(4-hydroxy-2-methylpentyl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 111540041
N-(3,4-dimethylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864152
N-[2-(3-oxocyclobutyl)ethyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 166307974
3-(4,6-dimethyl-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 20863684
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119458898
2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 119438522

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide (CID 119438546) is N-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide is CCNCc1cccc(NC(=O)CCc2c(C)nc3c(c2C)c(=O)[nH]n3C)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide?
The InChIKey is ZNTNNPFEOFLQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-5-22-12-15-7-6-8-16(11-15)24-18(27)10-9-17-13(2)19-20(23-14(17)3)26(4)25-21(19)28/h6-8,11,22H,5,9-10,12H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide?
N-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide has a molecular weight of 381.48 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 119438546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).