N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide

C26H29N7O2 — CID 16618393

IUPACN-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(c1ccccc1)N1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C26H29N7O2/c1-3-35-22-12-8-7-11-21(22)30-26(34)23(19-9-5-4-6-10-19)32-13-15-33(16-14-32)25-20-17-29-31(2)24(20)27-18-28-25/h4-12,17-18,23H,3,13-16H2,1-2H3,(H,30,34)
InChIKeyANUUJHTWUZFUAX-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.26
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide

N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 16618393) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
PubChem CID16618393
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(c1ccccc1)N1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C26H29N7O2/c1-3-35-22-12-8-7-11-21(22)30-26(34)23(19-9-5-4-6-10-19)32-13-15-33(16-14-32)25-20-17-29-31(2)24(20)27-18-28-25/h4-12,17-18,23H,3,13-16H2,1-2H3,(H,30,34)
InChIKeyANUUJHTWUZFUAX-UHFFFAOYSA-N
XLogP3.26
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
CID 24624070
(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 7928314
methyl (2R)-2-(4-fluorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetate
CID 26027381
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 16618444
(2R)-N-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 29440121
N-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 78848777
(2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 8774504
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 16618370
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 18078382
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 60511103
N-(2-ethoxyphenyl)-2-(2-methylmorpholin-4-yl)-2-phenylacetamide
CID 46673898
N-(2-ethoxyphenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196400

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide (CID 16618393) is N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide is CCOc1ccccc1NC(=O)C(c1ccccc1)N1CCN(c2ncnc3c2cnn3C)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is ANUUJHTWUZFUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-3-35-22-12-8-7-11-21(22)30-26(34)23(19-9-5-4-6-10-19)32-13-15-33(16-14-32)25-20-17-29-31(2)24(20)27-18-28-25/h4-12,17-18,23H,3,13-16H2,1-2H3,(H,30,34).
What are the key properties of N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide?
N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 471.57 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 16618393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).