5-(methoxymethyl)-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

C18H22N6O — CID 56910278

IUPAC5-(methoxymethyl)-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOCc1cc(N2CCN(Cc3ccncc3)CC2)n2nccc2n1
InChIInChI=1S/C18H22N6O/c1-25-14-16-12-18(24-17(21-16)4-7-20-24)23-10-8-22(9-11-23)13-15-2-5-19-6-3-15/h2-7,12H,8-11,13-14H2,1H3
InChIKeyIABJENZSZJGFFL-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.59
Rot. Bonds5

About 5-(methoxymethyl)-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

5-(methoxymethyl)-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 56910278) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 5-(methoxymethyl)-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(methoxymethyl)-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID56910278
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name5-(methoxymethyl)-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOCc1cc(N2CCN(Cc3ccncc3)CC2)n2nccc2n1
InChIInChI=1S/C18H22N6O/c1-25-14-16-12-18(24-17(21-16)4-7-20-24)23-10-8-22(9-11-23)13-15-2-5-19-6-3-15/h2-7,12H,8-11,13-14H2,1H3
InChIKeyIABJENZSZJGFFL-UHFFFAOYSA-N
XLogP1.59
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-Methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)pyrazolo[3,4-b]pyrazine
CID 72165213
Jnj-42396302
CID 51352628
Pyrazolo[1,5-a]-1,3,5-triazine, 13-9
CID 42618215
Pyrazolo[1,5-a]-1,3,5-triazine, 13-11
CID 42618217
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine
CID 155804434
1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
CID 127050189
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)oxan-3-amine
CID 127052289
6-Methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 162650276
2-(Methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2236969
4-(5-Isopropyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4870355
6-(4-morpholino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)pyridin-2-amin
CID 44607001
6-(4-morpholino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)pyridin-3-amine
CID 44607002

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(methoxymethyl)-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 56910278) is 5-(methoxymethyl)-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(methoxymethyl)-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(methoxymethyl)-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is COCc1cc(N2CCN(Cc3ccncc3)CC2)n2nccc2n1.
What is the InChIKey of 5-(methoxymethyl)-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is IABJENZSZJGFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-25-14-16-12-18(24-17(21-16)4-7-20-24)23-10-8-22(9-11-23)13-15-2-5-19-6-3-15/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 5-(methoxymethyl)-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-(methoxymethyl)-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 338.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56910278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).