4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol

C21H27N5O3 — CID 46953318

IUPAC4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN2CCCC(c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1O
InChIInChI=1S/C21H27N5O3/c1-13-7-20-23-16(10-19(22)26(20)24-13)15-5-4-6-25(12-15)11-14-8-17(28-2)21(27)18(9-14)29-3/h7-10,15,27H,4-6,11-12,22H2,1-3H3
InChIKeyIBHKOUIWDFMFLH-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.72
Rot. Bonds5

About 4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol

4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol (PubChem CID 46953318) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol
PubChem CID46953318
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN2CCCC(c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1O
InChIInChI=1S/C21H27N5O3/c1-13-7-20-23-16(10-19(22)26(20)24-13)15-5-4-6-25(12-15)11-14-8-17(28-2)21(27)18(9-14)29-3/h7-10,15,27H,4-6,11-12,22H2,1-3H3
InChIKeyIBHKOUIWDFMFLH-UHFFFAOYSA-N
XLogP2.72
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 51584804
5-[(3S)-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 92589345
5-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
CID 46960718
2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 110220484
5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 92555636
5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46960716
5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 92589156
2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95800811
2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 124827161
5-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 110220911
5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 155982441
[4-[[(3R)-3-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]phenyl] acetate
CID 95801736

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol (CID 46953318) is 4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol is COc1cc(CN2CCCC(c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1O.
What is the InChIKey of 4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol?
The InChIKey is IBHKOUIWDFMFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-13-7-20-23-16(10-19(22)26(20)24-13)15-5-4-6-25(12-15)11-14-8-17(28-2)21(27)18(9-14)29-3/h7-10,15,27H,4-6,11-12,22H2,1-3H3.
What are the key properties of 4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol?
4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol has a molecular weight of 397.48 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 46953318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).