N-ethyl-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-1-ylacetamide

C24H27N7O — CID 18150335

IUPACN-ethyl-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CN1CCN(c2ncnc3c2cnn3C)CC1)c1cccc2ccccc12
InChIInChI=1S/C24H27N7O/c1-3-31(21-10-6-8-18-7-4-5-9-19(18)21)22(32)16-29-11-13-30(14-12-29)24-20-15-27-28(2)23(20)25-17-26-24/h4-10,15,17H,3,11-14,16H2,1-2H3
InChIKeyOUFVBSULBRTCCA-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.69
Rot. Bonds5

About N-ethyl-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-1-ylacetamide

N-ethyl-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-1-ylacetamide (PubChem CID 18150335) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is N-ethyl-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
PubChem CID18150335
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC NameN-ethyl-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CN1CCN(c2ncnc3c2cnn3C)CC1)c1cccc2ccccc12
InChIInChI=1S/C24H27N7O/c1-3-31(21-10-6-8-18-7-4-5-9-19(18)21)22(32)16-29-11-13-30(14-12-29)24-20-15-27-28(2)23(20)25-17-26-24/h4-10,15,17H,3,11-14,16H2,1-2H3
InChIKeyOUFVBSULBRTCCA-UHFFFAOYSA-N
XLogP2.69
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-naphthalen-1-ylacetamide
CID 27559371
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 16608584
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 16618370
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide
CID 36846496
N-[(2-fluorophenyl)methyl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 18150388
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18150374
N-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 16608589
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 51334034
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 17494484
3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-phenylpropanamide
CID 43065535
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol
CID 110931563
1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-piperidin-1-ylethanone
CID 32712917

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of N-ethyl-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-1-ylacetamide (CID 18150335) is N-ethyl-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for N-ethyl-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for N-ethyl-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-1-ylacetamide is CCN(C(=O)CN1CCN(c2ncnc3c2cnn3C)CC1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is OUFVBSULBRTCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-3-31(21-10-6-8-18-7-4-5-9-19(18)21)22(32)16-29-11-13-30(14-12-29)24-20-15-27-28(2)23(20)25-17-26-24/h4-10,15,17H,3,11-14,16H2,1-2H3.
What are the key properties of N-ethyl-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-1-ylacetamide?
N-ethyl-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 429.53 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 18150335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).