(1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine

C9H12N4 — CID 165403100

IUPAC(1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine
SMILESC[C@@H](N)c1cnc2c(cnn2C)c1
InChIInChI=1S/C9H12N4/c1-6(10)7-3-8-5-12-13(2)9(8)11-4-7/h3-6H,10H2,1-2H3/t6-/m1/s1
InChIKeyCOCWIGIBLSARJT-ZCFIWIBFSA-N
MW176.22 g/mol
LogP0.99
Rot. Bonds1

About (1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine

(1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine (PubChem CID 165403100) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is (1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine
PubChem CID165403100
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name(1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine
SMILESC[C@@H](N)c1cnc2c(cnn2C)c1
InChIInChI=1S/C9H12N4/c1-6(10)7-3-8-5-12-13(2)9(8)11-4-7/h3-6H,10H2,1-2H3/t6-/m1/s1
InChIKeyCOCWIGIBLSARJT-ZCFIWIBFSA-N
XLogP0.99
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine
CID 126563156
2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine
CID 19620145
1-methylpyrazolo[3,4-b]pyridine-5-sulfonyl chloride
CID 71757018
4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol
CID 139537130
(1S)-1-furo[2,3-b]pyridin-5-ylethanamine
CID 122237100
1-(1-methylpyrazolo[5,4-b]pyridin-5-yl)propan-2-one
CID 83877089
1-methyl-5-pyridin-3-ylpyrazolo[3,4-b]pyridine
CID 70543936
1-(1-methylpyrrolo[3,2-b]pyridin-6-yl)ethanamine
CID 84766992
6-bromo-1-methylpyrazolo[3,4-d]pyrimidine
CID 82394293
1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine
CID 141403325
1-N-(1-methylpyrazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine
CID 83832950
N-[1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
CID 171720353

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine?
The IUPAC name of (1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine (CID 165403100) is (1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine.
What is the SMILES notation for (1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine?
The canonical SMILES for (1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine is C[C@@H](N)c1cnc2c(cnn2C)c1.
What is the InChIKey of (1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine?
The InChIKey is COCWIGIBLSARJT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N4/c1-6(10)7-3-8-5-12-13(2)9(8)11-4-7/h3-6H,10H2,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine?
(1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine has a molecular weight of 176.22 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine is sourced from PubChem (CID 165403100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).