(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone

C17H22N8O3 — CID 99933795

IUPAC(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone
SMILESCOCCn1nnnc1[C@@H]1CN(C(=O)c2cc(C)n3nc(C)cc3n2)CCO1
InChIInChI=1S/C17H22N8O3/c1-11-8-15-18-13(9-12(2)25(15)20-11)17(26)23-4-7-28-14(10-23)16-19-21-22-24(16)5-6-27-3/h8-9,14H,4-7,10H2,1-3H3/t14-/m0/s1
InChIKeyBGDYAWPMAYORHD-AWEZNQCLSA-N
MW386.42 g/mol
LogP0.19
Rot. Bonds5

About (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone (PubChem CID 99933795) has the molecular formula C17H22N8O3 and a molecular weight of 386.42 g/mol. Its IUPAC name is (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone
PubChem CID99933795
Molecular FormulaC17H22N8O3
Molecular Weight386.42 g/mol
Exact Mass386.18
IUPAC Name(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone
SMILESCOCCn1nnnc1[C@@H]1CN(C(=O)c2cc(C)n3nc(C)cc3n2)CCO1
InChIInChI=1S/C17H22N8O3/c1-11-8-15-18-13(9-12(2)25(15)20-11)17(26)23-4-7-28-14(10-23)16-19-21-22-24(16)5-6-27-3/h8-9,14H,4-7,10H2,1-3H3/t14-/m0/s1
InChIKeyBGDYAWPMAYORHD-AWEZNQCLSA-N
XLogP0.19
TPSA112.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one
CID 124750662
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethanone
CID 74243081
1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one
CID 99932469
1-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-pyridin-3-ylethanone
CID 118778786
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56883004
(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine
CID 124755660
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849860
[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 56867040
5-[(3R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 95214217
1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethanone
CID 124754682
3-[2-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 91836283
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 74251345

Frequently Asked Questions

What is the IUPAC name of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone?
The IUPAC name of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone (CID 99933795) is (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone.
What is the SMILES notation for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone?
The canonical SMILES for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone is COCCn1nnnc1[C@@H]1CN(C(=O)c2cc(C)n3nc(C)cc3n2)CCO1.
What is the InChIKey of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone?
The InChIKey is BGDYAWPMAYORHD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N8O3/c1-11-8-15-18-13(9-12(2)25(15)20-11)17(26)23-4-7-28-14(10-23)16-19-21-22-24(16)5-6-27-3/h8-9,14H,4-7,10H2,1-3H3/t14-/m0/s1.
What are the key properties of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone?
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone has a molecular weight of 386.42 g/mol, XLogP of 0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 99933795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).