N-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide

C20H21N5O2 — CID 53372450

IUPACN-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2N=C3CN(Cc4cccnc4)CCC3C2=O)c1
InChIInChI=1S/C20H21N5O2/c1-14(26)22-16-5-2-6-17(10-16)25-20(27)18-7-9-24(13-19(18)23-25)12-15-4-3-8-21-11-15/h2-6,8,10-11,18H,7,9,12-13H2,1H3,(H,22,26)
InChIKeyGJPBHPGFURSNSL-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.26
Rot. Bonds4

About N-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide

N-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide (PubChem CID 53372450) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide
PubChem CID53372450
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2N=C3CN(Cc4cccnc4)CCC3C2=O)c1
InChIInChI=1S/C20H21N5O2/c1-14(26)22-16-5-2-6-17(10-16)25-20(27)18-7-9-24(13-19(18)23-25)12-15-4-3-8-21-11-15/h2-6,8,10-11,18H,7,9,12-13H2,1H3,(H,22,26)
InChIKeyGJPBHPGFURSNSL-UHFFFAOYSA-N
XLogP2.26
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 27234910
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
(2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42292661
N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide
CID 68964157
3-[(2-benzyl-3-oxo-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)methyl]benzonitrile
CID 53373509
N-[3-[3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]phenyl]acetamide
CID 108592077
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
2-acetyl-N-(3-chlorophenyl)-10-(pyridin-3-ylmethyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 110075812
N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide
CID 51087134
N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 4040204
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide (CID 53372450) is N-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2N=C3CN(Cc4cccnc4)CCC3C2=O)c1.
What is the InChIKey of N-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide?
The InChIKey is GJPBHPGFURSNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14(26)22-16-5-2-6-17(10-16)25-20(27)18-7-9-24(13-19(18)23-25)12-15-4-3-8-21-11-15/h2-6,8,10-11,18H,7,9,12-13H2,1H3,(H,22,26).
What are the key properties of N-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide?
N-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-oxo-6-(pyridin-3-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl]phenyl]acetamide is sourced from PubChem (CID 53372450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).