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

C17H18N8 — CID 56909967

IUPACN,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(CCc1cn[nH]c1)c1nc(-c2ccncc2)nc2c1cnn2C
InChIInChI=1S/C17H18N8/c1-24(8-5-12-9-19-20-10-12)16-14-11-21-25(2)17(14)23-15(22-16)13-3-6-18-7-4-13/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,19,20)
InChIKeyRALNRHJMKGJHQU-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.83
Rot. Bonds5

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

N,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56909967) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56909967
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC NameN,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(CCc1cn[nH]c1)c1nc(-c2ccncc2)nc2c1cnn2C
InChIInChI=1S/C17H18N8/c1-24(8-5-12-9-19-20-10-12)16-14-11-21-25(2)17(14)23-15(22-16)13-3-6-18-7-4-13/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,19,20)
InChIKeyRALNRHJMKGJHQU-UHFFFAOYSA-N
XLogP1.83
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine (CID 56909967) is N,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine is CN(CCc1cn[nH]c1)c1nc(-c2ccncc2)nc2c1cnn2C.
What is the InChIKey of N,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is RALNRHJMKGJHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8/c1-24(8-5-12-9-19-20-10-12)16-14-11-21-25(2)17(14)23-15(22-16)13-3-6-18-7-4-13/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,19,20).
What are the key properties of N,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
N,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 334.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56909967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).