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

C17H18N8 — CID 70748206

IUPACN,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cnc(CN(C)c2nc(-c3ccncc3)nc3c2cnn3C)[nH]1
InChIInChI=1S/C17H18N8/c1-11-8-19-14(21-11)10-24(2)16-13-9-20-25(3)17(13)23-15(22-16)12-4-6-18-7-5-12/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyJXVBGMKLFCNNBA-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.09
Rot. Bonds4

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

N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 70748206) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID70748206
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC NameN,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cnc(CN(C)c2nc(-c3ccncc3)nc3c2cnn3C)[nH]1
InChIInChI=1S/C17H18N8/c1-11-8-19-14(21-11)10-24(2)16-13-9-20-25(3)17(13)23-15(22-16)12-4-6-18-7-5-12/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyJXVBGMKLFCNNBA-UHFFFAOYSA-N
XLogP2.09
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56909967
N-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56909510
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56889734
N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56911177
N,1-dimethyl-6-pyridin-3-yl-N-(quinolin-6-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 155096530
1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56892081
1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56891373
1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70712455
1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56890252
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70722090
N'-(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 56891402
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56916306

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine (CID 70748206) is N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine is Cc1cnc(CN(C)c2nc(-c3ccncc3)nc3c2cnn3C)[nH]1.
What is the InChIKey of N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is JXVBGMKLFCNNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8/c1-11-8-19-14(21-11)10-24(2)16-13-9-20-25(3)17(13)23-15(22-16)12-4-6-18-7-5-12/h4-9H,10H2,1-3H3,(H,19,21).
What are the key properties of N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 334.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70748206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).