(2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide

C17H19N7O — CID 30804983

IUPAC(2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C17H19N7O/c18-15(25)14(12-4-2-1-3-5-12)23-6-8-24(9-7-23)17-13-10-21-22-16(13)19-11-20-17/h1-5,10-11,14H,6-9H2,(H2,18,25)(H,19,20,21,22)/t14-/m1/s1
InChIKeyVOSYSKWPVYRMKJ-CQSZACIVSA-N
MW337.39 g/mol
LogP0.70
Rot. Bonds4

About (2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide

(2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 30804983) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
PubChem CID30804983
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name(2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C17H19N7O/c18-15(25)14(12-4-2-1-3-5-12)23-6-8-24(9-7-23)17-13-10-21-22-16(13)19-11-20-17/h1-5,10-11,14H,6-9H2,(H2,18,25)(H,19,20,21,22)/t14-/m1/s1
InChIKeyVOSYSKWPVYRMKJ-CQSZACIVSA-N
XLogP0.70
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
(2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide
CID 99855050
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 51491376
(3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 110874220
N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78847132
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
CID 95587281
2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
CID 163352035
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
2-[4-(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
CID 16590070
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 17433888
(2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide
CID 31256282

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of (2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide (CID 30804983) is (2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for (2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide is NC(=O)[C@@H](c1ccccc1)N1CCN(c2ncnc3[nH]ncc23)CC1.
What is the InChIKey of (2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is VOSYSKWPVYRMKJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N7O/c18-15(25)14(12-4-2-1-3-5-12)23-6-8-24(9-7-23)17-13-10-21-22-16(13)19-11-20-17/h1-5,10-11,14H,6-9H2,(H2,18,25)(H,19,20,21,22)/t14-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
(2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 337.39 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30804983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).