N-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide

C24H20N6O2 — CID 137358821

IUPACN-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cccnc3)c(N)c2C#N)cc1
InChIInChI=1S/C24H20N6O2/c1-32-21-7-3-2-6-19(21)24(31)28-14-16-8-10-17(11-9-16)22-20(13-25)23(26)30(29-22)18-5-4-12-27-15-18/h2-12,15H,14,26H2,1H3,(H,28,31)
InChIKeySKOCXJDLTASGQX-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.33
Rot. Bonds6

About N-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide

N-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide (PubChem CID 137358821) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide
PubChem CID137358821
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC NameN-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cccnc3)c(N)c2C#N)cc1
InChIInChI=1S/C24H20N6O2/c1-32-21-7-3-2-6-19(21)24(31)28-14-16-8-10-17(11-9-16)22-20(13-25)23(26)30(29-22)18-5-4-12-27-15-18/h2-12,15H,14,26H2,1H3,(H,28,31)
InChIKeySKOCXJDLTASGQX-UHFFFAOYSA-N
XLogP3.33
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-[5-amino-4-cyano-1-(2-pyridin-3-ylethyl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 137358782
N-[[4-[5-amino-4-cyano-1-(2,3-difluorophenyl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 137358797
N-[[4-[5-amino-4-cyano-1-(1,1,1-trifluoropropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 137358824
N-[[4-[5-amino-4-cyano-1-(2,3-dihydro-1H-inden-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 137358783
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide
CID 38784665
N-[[4-[4-cyano-5-(methylamino)-1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 137358456
5-amino-1-butan-2-yl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248258
N-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide
CID 168877285
N-[[4-[5-amino-4-formyl-1-(1-hydroxypropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 155106502
N-[[4-[5-amino-4-cyano-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 137358779
5-amino-1-cyclobutyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248209
N-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 154998779

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide (CID 137358821) is N-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cccnc3)c(N)c2C#N)cc1.
What is the InChIKey of N-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide?
The InChIKey is SKOCXJDLTASGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-32-21-7-3-2-6-19(21)24(31)28-14-16-8-10-17(11-9-16)22-20(13-25)23(26)30(29-22)18-5-4-12-27-15-18/h2-12,15H,14,26H2,1H3,(H,28,31).
What are the key properties of N-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide?
N-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide has a molecular weight of 424.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 137358821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).