5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine

C20H22N6 — CID 70787787

IUPAC5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC(c3nc4ccccc4n3C)C2)n2nccc2n1
InChIInChI=1S/C20H22N6/c1-14-12-19(26-18(22-14)9-10-21-26)25-11-5-6-15(13-25)20-23-16-7-3-4-8-17(16)24(20)2/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3
InChIKeyAQPWYPFJSNTRHJ-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.31
Rot. Bonds2

About 5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine

5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 70787787) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID70787787
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC(c3nc4ccccc4n3C)C2)n2nccc2n1
InChIInChI=1S/C20H22N6/c1-14-12-19(26-18(22-14)9-10-21-26)25-11-5-6-15(13-25)20-23-16-7-3-4-8-17(16)24(20)2/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3
InChIKeyAQPWYPFJSNTRHJ-UHFFFAOYSA-N
XLogP3.31
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 70787787) is 5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCCC(c3nc4ccccc4n3C)C2)n2nccc2n1.
What is the InChIKey of 5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is AQPWYPFJSNTRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-14-12-19(26-18(22-14)9-10-21-26)25-11-5-6-15(13-25)20-23-16-7-3-4-8-17(16)24(20)2/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3.
What are the key properties of 5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 346.44 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 70787787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).