5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

C21H25N5O3 — CID 155982441

IUPAC5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc2c(cc1CN1CCC(c3cc(N)n4nc(C)cc4n3)CC1)OCO2
InChIInChI=1S/C21H25N5O3/c1-13-7-21-23-16(9-20(22)26(21)24-13)14-3-5-25(6-4-14)11-15-8-18-19(29-12-28-18)10-17(15)27-2/h7-10,14H,3-6,11-12,22H2,1-2H3
InChIKeyPKGDDJCDOFLPEW-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.74
Rot. Bonds4

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

5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 155982441) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID155982441
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc2c(cc1CN1CCC(c3cc(N)n4nc(C)cc4n3)CC1)OCO2
InChIInChI=1S/C21H25N5O3/c1-13-7-21-23-16(9-20(22)26(21)24-13)14-3-5-25(6-4-14)11-15-8-18-19(29-12-28-18)10-17(15)27-2/h7-10,14H,3-6,11-12,22H2,1-2H3
InChIKeyPKGDDJCDOFLPEW-UHFFFAOYSA-N
XLogP2.74
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol
CID 46953318
5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 92555636
1-[(3R)-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
CID 99926053
5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46960716
5-[2-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252522
5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 51584804
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
4-[(3R)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136735285
2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 110220484
1-[1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]azetidin-3-yl]-3,5-dimethylpyrazole
CID 77098161
2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 124827161

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 155982441) is 5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is COc1cc2c(cc1CN1CCC(c3cc(N)n4nc(C)cc4n3)CC1)OCO2.
What is the InChIKey of 5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PKGDDJCDOFLPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-13-7-21-23-16(9-20(22)26(21)24-13)14-3-5-25(6-4-14)11-15-8-18-19(29-12-28-18)10-17(15)27-2/h7-10,14H,3-6,11-12,22H2,1-2H3.
What are the key properties of 5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 395.46 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 155982441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).