N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

C22H17N7O3 — CID 136782597

IUPACN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOc1ccc(Cc2nc(C(=O)Nc3c(C#N)cnn3-c3ccccn3)cc(=O)[nH]2)cc1
InChIInChI=1S/C22H17N7O3/c1-32-16-7-5-14(6-8-16)10-18-26-17(11-20(30)27-18)22(31)28-21-15(12-23)13-25-29(21)19-4-2-3-9-24-19/h2-9,11,13H,10H2,1H3,(H,28,31)(H,26,27,30)
InChIKeyCAXXSRMIDNYGFO-UHFFFAOYSA-N
MW427.42 g/mol
LogP2.07
Rot. Bonds6

About N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136782597) has the molecular formula C22H17N7O3 and a molecular weight of 427.42 g/mol. Its IUPAC name is N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136782597
Molecular FormulaC22H17N7O3
Molecular Weight427.42 g/mol
Exact Mass427.14
IUPAC NameN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOc1ccc(Cc2nc(C(=O)Nc3c(C#N)cnn3-c3ccccn3)cc(=O)[nH]2)cc1
InChIInChI=1S/C22H17N7O3/c1-32-16-7-5-14(6-8-16)10-18-26-17(11-20(30)27-18)22(31)28-21-15(12-23)13-25-29(21)19-4-2-3-9-24-19/h2-9,11,13H,10H2,1H3,(H,28,31)(H,26,27,30)
InChIKeyCAXXSRMIDNYGFO-UHFFFAOYSA-N
XLogP2.07
TPSA138.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834508
3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide
CID 108738030
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
CID 108738088
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834539
N-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834390
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propylphenoxy)acetamide
CID 108760998
methyl 4-cyano-5-[[2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carbonyl]amino]-2-methylfuran-3-carboxylate
CID 136834471
(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 108760960
3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide
CID 108738179
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-ethylbutanamide
CID 108738040
N-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834452
N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705475

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 136782597) is N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is COc1ccc(Cc2nc(C(=O)Nc3c(C#N)cnn3-c3ccccn3)cc(=O)[nH]2)cc1.
What is the InChIKey of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is CAXXSRMIDNYGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O3/c1-32-16-7-5-14(6-8-16)10-18-26-17(11-20(30)27-18)22(31)28-21-15(12-23)13-25-29(21)19-4-2-3-9-24-19/h2-9,11,13H,10H2,1H3,(H,28,31)(H,26,27,30).
What are the key properties of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 427.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136782597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).