1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine

C19H23N5 — CID 95853481

IUPAC1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
SMILESCn1nc([C@H]2CCCN(CCc3ccccc3)C2)c2nccnc21
InChIInChI=1S/C19H23N5/c1-23-19-18(20-10-11-21-19)17(22-23)16-8-5-12-24(14-16)13-9-15-6-3-2-4-7-15/h2-4,6-7,10-11,16H,5,8-9,12-14H2,1H3/t16-/m0/s1
InChIKeyQXRXAKFTKYIIDZ-INIZCTEOSA-N
MW321.43 g/mol
LogP2.79
Rot. Bonds4

About 1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine

1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine (PubChem CID 95853481) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
PubChem CID95853481
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
SMILESCn1nc([C@H]2CCCN(CCc3ccccc3)C2)c2nccnc21
InChIInChI=1S/C19H23N5/c1-23-19-18(20-10-11-21-19)17(22-23)16-8-5-12-24(14-16)13-9-15-6-3-2-4-7-15/h2-4,6-7,10-11,16H,5,8-9,12-14H2,1H3/t16-/m0/s1
InChIKeyQXRXAKFTKYIIDZ-INIZCTEOSA-N
XLogP2.79
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 110234032
1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 110234045
1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride
CID 118741951
3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
CID 95855386
3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
CID 110234058
2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 92552953
2-cyclohexyl-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 110243927
(2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 51587835
3-cyclopentyl-1-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 92566333
(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
CID 125014452
1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264730
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine
CID 66509746

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine (CID 95853481) is 1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine is Cn1nc([C@H]2CCCN(CCc3ccccc3)C2)c2nccnc21.
What is the InChIKey of 1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine?
The InChIKey is QXRXAKFTKYIIDZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5/c1-23-19-18(20-10-11-21-19)17(22-23)16-8-5-12-24(14-16)13-9-15-6-3-2-4-7-15/h2-4,6-7,10-11,16H,5,8-9,12-14H2,1H3/t16-/m0/s1.
What are the key properties of 1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine?
1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine has a molecular weight of 321.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 95853481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).