4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine

C19H25N7 — CID 145413056

IUPAC4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
SMILESCNc1cccc(-c2[nH]nc3nc(N4CCC(C)(N)CC4)cnc23)c1C
InChIInChI=1S/C19H25N7/c1-12-13(5-4-6-14(12)21-3)16-17-18(25-24-16)23-15(11-22-17)26-9-7-19(2,20)8-10-26/h4-6,11,21H,7-10,20H2,1-3H3,(H,23,24,25)
InChIKeyFIJOPKWSUAABBC-UHFFFAOYSA-N
MW351.46 g/mol
LogP2.69
Rot. Bonds3

About 4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine

4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine (PubChem CID 145413056) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
PubChem CID145413056
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
SMILESCNc1cccc(-c2[nH]nc3nc(N4CCC(C)(N)CC4)cnc23)c1C
InChIInChI=1S/C19H25N7/c1-12-13(5-4-6-14(12)21-3)16-17-18(25-24-16)23-15(11-22-17)26-9-7-19(2,20)8-10-26/h4-6,11,21H,7-10,20H2,1-3H3,(H,23,24,25)
InChIKeyFIJOPKWSUAABBC-UHFFFAOYSA-N
XLogP2.69
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(5-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 134379003
[1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
CID 134379135
1-[1-[3-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]-N-methylmethanamine
CID 166992559
8-[3-(2-chloro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decane
CID 166992568
8-[3-(2-chloro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3,3-difluoro-8-azaspiro[4.5]decane
CID 163448968
(3S,4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 155537362
(3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine
CID 134368037
6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine
CID 167568890
1-[1-[3-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]-N-methylmethanamine
CID 166992676
8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane
CID 145413066
1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(hydroxymethyl)piperidin-4-ol
CID 155766778
3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 157469658

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine?
The IUPAC name of 4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine (CID 145413056) is 4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine.
What is the SMILES notation for 4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine?
The canonical SMILES for 4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine is CNc1cccc(-c2[nH]nc3nc(N4CCC(C)(N)CC4)cnc23)c1C.
What is the InChIKey of 4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine?
The InChIKey is FIJOPKWSUAABBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-12-13(5-4-6-14(12)21-3)16-17-18(25-24-16)23-15(11-22-17)26-9-7-19(2,20)8-10-26/h4-6,11,21H,7-10,20H2,1-3H3,(H,23,24,25).
What are the key properties of 4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine?
4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine has a molecular weight of 351.46 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine is sourced from PubChem (CID 145413056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).