N-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide

C22H27N7O3 — CID 42936789

IUPACN-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCOc1ccc(C(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)NC(C)=O)cc1
InChIInChI=1S/C22H27N7O3/c1-15(30)26-19(16-4-6-17(32-3)7-5-16)12-20(31)28-8-10-29(11-9-28)22-18-13-25-27(2)21(18)23-14-24-22/h4-7,13-14,19H,8-12H2,1-3H3,(H,26,30)
InChIKeySCFMWADHXBBVHJ-UHFFFAOYSA-N
MW437.50 g/mol
LogP1.29
Rot. Bonds6

About N-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide

N-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide (PubChem CID 42936789) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide
PubChem CID42936789
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC NameN-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCOc1ccc(C(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)NC(C)=O)cc1
InChIInChI=1S/C22H27N7O3/c1-15(30)26-19(16-4-6-17(32-3)7-5-16)12-20(31)28-8-10-29(11-9-28)22-18-13-25-27(2)21(18)23-14-24-22/h4-7,13-14,19H,8-12H2,1-3H3,(H,26,30)
InChIKeySCFMWADHXBBVHJ-UHFFFAOYSA-N
XLogP1.29
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-methoxyphenyl)-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 16589661
N-[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 55919317
1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 16617347
4-(methylamino)-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119840099
2-(4-methylphenoxy)-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 16617311
1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-piperidin-1-ylethanone
CID 32712917
(3,5-dimethoxy-4-methylphenyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 31123227
2-(4-chlorophenyl)-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 16589637
(2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 119840120
methyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate
CID 26027381
1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylethanone
CID 31123489
(1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 119840114

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide (CID 42936789) is N-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide is COc1ccc(C(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)NC(C)=O)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is SCFMWADHXBBVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-15(30)26-19(16-4-6-17(32-3)7-5-16)12-20(31)28-8-10-29(11-9-28)22-18-13-25-27(2)21(18)23-14-24-22/h4-7,13-14,19H,8-12H2,1-3H3,(H,26,30).
What are the key properties of N-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide?
N-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 437.50 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 42936789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).