N,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine

C16H19N7 — CID 164610050

IUPACN,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nccc(-c3cnn4ncccc34)n2)C1
InChIInChI=1S/C16H19N7/c1-21(2)12-6-9-22(11-12)16-17-8-5-14(20-16)13-10-19-23-15(13)4-3-7-18-23/h3-5,7-8,10,12H,6,9,11H2,1-2H3
InChIKeySJQYAXRVIGRFHM-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.33
Rot. Bonds3

About N,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine

N,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine (PubChem CID 164610050) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine
PubChem CID164610050
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC NameN,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nccc(-c3cnn4ncccc34)n2)C1
InChIInChI=1S/C16H19N7/c1-21(2)12-6-9-22(11-12)16-17-8-5-14(20-16)13-10-19-23-15(13)4-3-7-18-23/h3-5,7-8,10,12H,6,9,11H2,1-2H3
InChIKeySJQYAXRVIGRFHM-UHFFFAOYSA-N
XLogP1.33
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine (CID 164610050) is N,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine is CN(C)C1CCN(c2nccc(-c3cnn4ncccc34)n2)C1.
What is the InChIKey of N,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine?
The InChIKey is SJQYAXRVIGRFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-21(2)12-6-9-22(11-12)16-17-8-5-14(20-16)13-10-19-23-15(13)4-3-7-18-23/h3-5,7-8,10,12H,6,9,11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine?
N,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine has a molecular weight of 309.38 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 164610050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).