5-(2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine

C18H19N7 — CID 23586080

IUPAC5-(2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1[nH]nc2nnc(C3=C(c4ccccc4)NN4CCCCC34)cc12
InChIInChI=1S/C18H19N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-3,6-7,10,14,24H,4-5,8-9H2,(H3,19,21,22,23)
InChIKeyCGLCHQGMSMSHNQ-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.18
Rot. Bonds2

About 5-(2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine

5-(2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine (PubChem CID 23586080) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 5-(2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine.

Molecular Properties

Compound Name5-(2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
PubChem CID23586080
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name5-(2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1[nH]nc2nnc(C3=C(c4ccccc4)NN4CCCCC34)cc12
InChIInChI=1S/C18H19N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-3,6-7,10,14,24H,4-5,8-9H2,(H3,19,21,22,23)
InChIKeyCGLCHQGMSMSHNQ-UHFFFAOYSA-N
XLogP2.18
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The IUPAC name of 5-(2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine (CID 23586080) is 5-(2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine.
What is the SMILES notation for 5-(2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The canonical SMILES for 5-(2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine is Nc1[nH]nc2nnc(C3=C(c4ccccc4)NN4CCCCC34)cc12.
What is the InChIKey of 5-(2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The InChIKey is CGLCHQGMSMSHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-3,6-7,10,14,24H,4-5,8-9H2,(H3,19,21,22,23).
What are the key properties of 5-(2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine?
5-(2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine has a molecular weight of 333.40 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine is sourced from PubChem (CID 23586080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).