N-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide

C20H18N6O3 — CID 126601546

IUPACN-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide
SMILESCOc1ncc(-c2cc3cnn(C(Cc4ccccc4)C(=O)NO)c3cn2)cn1
InChIInChI=1S/C20H18N6O3/c1-29-20-22-9-15(10-23-20)16-8-14-11-24-26(18(14)12-21-16)17(19(27)25-28)7-13-5-3-2-4-6-13/h2-6,8-12,17,28H,7H2,1H3,(H,25,27)
InChIKeyJHWAJZBUWMYALX-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.19
Rot. Bonds6

About N-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide

N-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide (PubChem CID 126601546) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide
PubChem CID126601546
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC NameN-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide
SMILESCOc1ncc(-c2cc3cnn(C(Cc4ccccc4)C(=O)NO)c3cn2)cn1
InChIInChI=1S/C20H18N6O3/c1-29-20-22-9-15(10-23-20)16-8-14-11-24-26(18(14)12-21-16)17(19(27)25-28)7-13-5-3-2-4-6-13/h2-6,8-12,17,28H,7H2,1H3,(H,25,27)
InChIKeyJHWAJZBUWMYALX-UHFFFAOYSA-N
XLogP2.19
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-phenyl-2-(5-phenylindazol-1-yl)propanamide
CID 126601527
N-hydroxy-3-phenyl-2-(5-pyrimidin-5-ylpyrazolo[4,5-b]pyridin-1-yl)propanamide
CID 126601596
2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide
CID 126601539
N-hydroxy-2-(5-methylpyrazolo[4,5-b]pyridin-1-yl)-3-phenylpropanamide
CID 126601422
methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate
CID 140901178
2-(5-fluoroindazol-2-yl)-N-hydroxy-3-phenylpropanamide
CID 155883738
potassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride
CID 161276923
N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine
CID 73214354
(2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 34313702
N-(3-benzyl-4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586217
5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 120547250
1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
CID 135061790

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide?
The IUPAC name of N-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide (CID 126601546) is N-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide.
What is the SMILES notation for N-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide?
The canonical SMILES for N-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide is COc1ncc(-c2cc3cnn(C(Cc4ccccc4)C(=O)NO)c3cn2)cn1.
What is the InChIKey of N-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide?
The InChIKey is JHWAJZBUWMYALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-29-20-22-9-15(10-23-20)16-8-14-11-24-26(18(14)12-21-16)17(19(27)25-28)7-13-5-3-2-4-6-13/h2-6,8-12,17,28H,7H2,1H3,(H,25,27).
What are the key properties of N-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide?
N-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide has a molecular weight of 390.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide is sourced from PubChem (CID 126601546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).