N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

C22H23N7O3 — CID 58254467

IUPACN-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCc1cc(C2CC2)n(-c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)n1
InChIInChI=1S/C22H23N7O3/c1-13-10-17(14-4-5-14)29(25-13)16-8-6-15(7-9-16)24-18(30)11-28-12-23-20-19(28)21(31)27(3)22(32)26(20)2/h6-10,12,14H,4-5,11H2,1-3H3,(H,24,30)
InChIKeyWZPSXVNWZNKDTD-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.44
Rot. Bonds5

About N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (PubChem CID 58254467) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.

Molecular Properties

Compound NameN-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
PubChem CID58254467
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC NameN-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCc1cc(C2CC2)n(-c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)n1
InChIInChI=1S/C22H23N7O3/c1-13-10-17(14-4-5-14)29(25-13)16-8-6-15(7-9-16)24-18(30)11-28-12-23-20-19(28)21(31)27(3)22(32)26(20)2/h6-10,12,14H,4-5,11H2,1-3H3,(H,24,30)
InChIKeyWZPSXVNWZNKDTD-UHFFFAOYSA-N
XLogP1.44
TPSA108.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide with MolForge

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Related Compounds

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,4-dimethylphenyl)acetamide
CID 775363
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 1150897
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,5-dimethylphenyl)acetamide
CID 718049
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide
CID 86764268
N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-4-ylacetamide
CID 58242945
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium
CID 88570004
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 4678780
N-(4-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 743810
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethynylphenyl)acetamide
CID 164524269
methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
CID 1116268
4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 7856329
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(Z)-1-sulfanylprop-1-enyl]phenyl]acetamide
CID 146549650

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The IUPAC name of N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (CID 58254467) is N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.
What is the SMILES notation for N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The canonical SMILES for N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is Cc1cc(C2CC2)n(-c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)n1.
What is the InChIKey of N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The InChIKey is WZPSXVNWZNKDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-13-10-17(14-4-5-14)29(25-13)16-8-6-15(7-9-16)24-18(30)11-28-12-23-20-19(28)21(31)27(3)22(32)26(20)2/h6-10,12,14H,4-5,11H2,1-3H3,(H,24,30).
What are the key properties of N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide has a molecular weight of 433.47 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is sourced from PubChem (CID 58254467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).