N-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

C27H25N7O3 — CID 26921680

IUPACN-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)n(C)c1=O
InChIInChI=1S/C27H25N7O3/c1-31-25-24(26(36)32(2)27(31)37)33(16-28-25)15-23(35)29-22-14-21(30-34(22)20-9-4-3-5-10-20)19-12-11-17-7-6-8-18(17)13-19/h3-5,9-14,16H,6-8,15H2,1-2H3,(H,29,35)
InChIKeyZVOOVPVAGLWUOB-UHFFFAOYSA-N
MW495.54 g/mol
LogP2.41
Rot. Bonds5

About N-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

N-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (PubChem CID 26921680) has the molecular formula C27H25N7O3 and a molecular weight of 495.54 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
PubChem CID26921680
Molecular FormulaC27H25N7O3
Molecular Weight495.54 g/mol
Exact Mass495.20
IUPAC NameN-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)n(C)c1=O
InChIInChI=1S/C27H25N7O3/c1-31-25-24(26(36)32(2)27(31)37)33(16-28-25)15-23(35)29-22-14-21(30-34(22)20-9-4-3-5-10-20)19-12-11-17-7-6-8-18(17)13-19/h3-5,9-14,16H,6-8,15H2,1-2H3,(H,29,35)
InChIKeyZVOOVPVAGLWUOB-UHFFFAOYSA-N
XLogP2.41
TPSA108.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 47089990
(3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 41188599
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 46821406
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]acetamide
CID 112805945
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide
CID 26889875
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 3854113
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-propan-2-ylacetamide
CID 694655
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]acetamide
CID 71805057
3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide
CID 155968063
N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide
CID 16567061
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 1250074
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,4-dimethylphenyl)acetamide
CID 775363

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The IUPAC name of N-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (CID 26921680) is N-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.
What is the SMILES notation for N-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The canonical SMILES for N-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)n(C)c1=O.
What is the InChIKey of N-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The InChIKey is ZVOOVPVAGLWUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O3/c1-31-25-24(26(36)32(2)27(31)37)33(16-28-25)15-23(35)29-22-14-21(30-34(22)20-9-4-3-5-10-20)19-12-11-17-7-6-8-18(17)13-19/h3-5,9-14,16H,6-8,15H2,1-2H3,(H,29,35).
What are the key properties of N-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
N-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide has a molecular weight of 495.54 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is sourced from PubChem (CID 26921680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).