4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine

C12H18N6 — CID 146428872

IUPAC4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine
SMILESCNc1cnc2[nH]ncc2c1N1CCCC(N)C1
InChIInChI=1S/C12H18N6/c1-14-10-6-15-12-9(5-16-17-12)11(10)18-4-2-3-8(13)7-18/h5-6,8,14H,2-4,7,13H2,1H3,(H,15,16,17)
InChIKeyBXUKMEXLKQRYDL-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.93
Rot. Bonds2

About 4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine

4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine (PubChem CID 146428872) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound Name4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine
PubChem CID146428872
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine
SMILESCNc1cnc2[nH]ncc2c1N1CCCC(N)C1
InChIInChI=1S/C12H18N6/c1-14-10-6-15-12-9(5-16-17-12)11(10)18-4-2-3-8(13)7-18/h5-6,8,14H,2-4,7,13H2,1H3,(H,15,16,17)
InChIKeyBXUKMEXLKQRYDL-UHFFFAOYSA-N
XLogP0.93
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-aminopiperidin-1-yl)-N-methylpyridin-4-amine
CID 145468600
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71862723
4-(3-methylsulfanylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133395111
3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 178107069
1-[4-(methylamino)phenyl]piperidin-3-amine
CID 171622540
1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)piperidin-3-amine
CID 141448207
4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 16627028
(3R)-1-(5,6-dimethylpyrazin-2-yl)piperidin-3-amine
CID 102986367
N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide
CID 67045613
(3R)-1-(5-bromo-3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine
CID 141399722
(3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 97076436

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of 4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine (CID 146428872) is 4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for 4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for 4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine is CNc1cnc2[nH]ncc2c1N1CCCC(N)C1.
What is the InChIKey of 4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is BXUKMEXLKQRYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-14-10-6-15-12-9(5-16-17-12)11(10)18-4-2-3-8(13)7-18/h5-6,8,14H,2-4,7,13H2,1H3,(H,15,16,17).
What are the key properties of 4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine?
4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 246.32 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 146428872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).