1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H19N9 — CID 95861358

IUPAC1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc([C@@H](C)Nc2nc(-c3ccncc3)nc3c2c(C)nn3C)n[nH]1
InChIInChI=1S/C17H19N9/c1-9-13-16(19-10(2)14-20-11(3)23-24-14)21-15(12-5-7-18-8-6-12)22-17(13)26(4)25-9/h5-8,10H,1-4H3,(H,19,21,22)(H,20,23,24)/t10-/m1/s1
InChIKeyJGNDAPVPRUAZIG-SNVBAGLBSA-N
MW349.40 g/mol
LogP2.33
Rot. Bonds4

About 1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95861358) has the molecular formula C17H19N9 and a molecular weight of 349.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95861358
Molecular FormulaC17H19N9
Molecular Weight349.40 g/mol
Exact Mass349.18
IUPAC Name1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc([C@@H](C)Nc2nc(-c3ccncc3)nc3c2c(C)nn3C)n[nH]1
InChIInChI=1S/C17H19N9/c1-9-13-16(19-10(2)14-20-11(3)23-24-14)21-15(12-5-7-18-8-6-12)22-17(13)26(4)25-9/h5-8,10H,1-4H3,(H,19,21,22)(H,20,23,24)/t10-/m1/s1
InChIKeyJGNDAPVPRUAZIG-SNVBAGLBSA-N
XLogP2.33
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95891437
1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70726083
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95723480
1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56916981
1-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95729684
[(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 95870007
2-(4-chlorophenyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56907557
1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95891564
1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 16782401
1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70712455
N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 95873812
(2R)-1-(1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,4-diazepan-5-one
CID 95866502

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 95861358) is 1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc([C@@H](C)Nc2nc(-c3ccncc3)nc3c2c(C)nn3C)n[nH]1.
What is the InChIKey of 1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JGNDAPVPRUAZIG-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19N9/c1-9-13-16(19-10(2)14-20-11(3)23-24-14)21-15(12-5-7-18-8-6-12)22-17(13)26(4)25-9/h5-8,10H,1-4H3,(H,19,21,22)(H,20,23,24)/t10-/m1/s1.
What are the key properties of 1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 349.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95861358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).