N-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C17H17N9O — CID 118380564

IUPACN-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESc1cnnc(-c2nc(Nc3cnn(C4CCOCC4)c3)c3[nH]ncc3n2)c1
InChIInChI=1S/C17H17N9O/c1-2-13(24-18-5-1)16-22-14-9-19-25-15(14)17(23-16)21-11-8-20-26(10-11)12-3-6-27-7-4-12/h1-2,5,8-10,12H,3-4,6-7H2,(H,19,25)(H,21,22,23)
InChIKeyUIUJUEYCDJLPQF-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.10
Rot. Bonds4

About N-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine

N-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 118380564) has the molecular formula C17H17N9O and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID118380564
Molecular FormulaC17H17N9O
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC NameN-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESc1cnnc(-c2nc(Nc3cnn(C4CCOCC4)c3)c3[nH]ncc3n2)c1
InChIInChI=1S/C17H17N9O/c1-2-13(24-18-5-1)16-22-14-9-19-25-15(14)17(23-16)21-11-8-20-26(10-11)12-3-6-27-7-4-12/h1-2,5,8-10,12H,3-4,6-7H2,(H,19,25)(H,21,22,23)
InChIKeyUIUJUEYCDJLPQF-UHFFFAOYSA-N
XLogP2.10
TPSA119.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 118380564) is N-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine is c1cnnc(-c2nc(Nc3cnn(C4CCOCC4)c3)c3[nH]ncc3n2)c1.
What is the InChIKey of N-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is UIUJUEYCDJLPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N9O/c1-2-13(24-18-5-1)16-22-14-9-19-25-15(14)17(23-16)21-11-8-20-26(10-11)12-3-6-27-7-4-12/h1-2,5,8-10,12H,3-4,6-7H2,(H,19,25)(H,21,22,23).
What are the key properties of N-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
N-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 363.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 118380564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).