5-[1-methyl-3-[(1S)-1-(6-methyl-2-pyridinyl)ethoxy]pyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione

C18H17N7O3 — CID 170786513

IUPAC5-[1-methyl-3-[(1S)-1-(6-methyl-2-pyridinyl)ethoxy]pyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione
SMILESCc1cccc([C@H](C)Oc2nn(C)c3nnc(-c4c[nH]c(=O)[nH]c4=O)cc23)n1
InChIInChI=1S/C18H17N7O3/c1-9-5-4-6-13(20-9)10(2)28-17-11-7-14(22-23-15(11)25(3)24-17)12-8-19-18(27)21-16(12)26/h4-8,10H,1-3H3,(H2,19,21,26,27)/t10-/m0/s1
InChIKeyHMLYVGRKDWVWLJ-JTQLQIEISA-N
MW379.38 g/mol
LogP1.25
Rot. Bonds4

About 5-[1-methyl-3-[(1S)-1-(6-methyl-2-pyridinyl)ethoxy]pyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione

5-[1-methyl-3-[(1S)-1-(6-methyl-2-pyridinyl)ethoxy]pyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170786513) has the molecular formula C18H17N7O3 and a molecular weight of 379.38 g/mol. Its IUPAC name is 5-[1-methyl-3-[(1S)-1-(6-methyl-2-pyridinyl)ethoxy]pyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[1-methyl-3-[(1S)-1-(6-methyl-2-pyridinyl)ethoxy]pyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione
PubChem CID170786513
Molecular FormulaC18H17N7O3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name5-[1-methyl-3-[(1S)-1-(6-methyl-2-pyridinyl)ethoxy]pyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione
SMILESCc1cccc([C@H](C)Oc2nn(C)c3nnc(-c4c[nH]c(=O)[nH]c4=O)cc23)n1
InChIInChI=1S/C18H17N7O3/c1-9-5-4-6-13(20-9)10(2)28-17-11-7-14(22-23-15(11)25(3)24-17)12-8-19-18(27)21-16(12)26/h4-8,10H,1-3H3,(H2,19,21,26,27)/t10-/m0/s1
InChIKeyHMLYVGRKDWVWLJ-JTQLQIEISA-N
XLogP1.25
TPSA131.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-3-[(1S)-1-(6-methyl-2-pyridinyl)ethoxy]pyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[1-methyl-3-[(1S)-1-(6-methyl-2-pyridinyl)ethoxy]pyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione (CID 170786513) is 5-[1-methyl-3-[(1S)-1-(6-methyl-2-pyridinyl)ethoxy]pyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[1-methyl-3-[(1S)-1-(6-methyl-2-pyridinyl)ethoxy]pyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[1-methyl-3-[(1S)-1-(6-methyl-2-pyridinyl)ethoxy]pyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione is Cc1cccc([C@H](C)Oc2nn(C)c3nnc(-c4c[nH]c(=O)[nH]c4=O)cc23)n1.
What is the InChIKey of 5-[1-methyl-3-[(1S)-1-(6-methyl-2-pyridinyl)ethoxy]pyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is HMLYVGRKDWVWLJ-JTQLQIEISA-N. The full InChI is InChI=1S/C18H17N7O3/c1-9-5-4-6-13(20-9)10(2)28-17-11-7-14(22-23-15(11)25(3)24-17)12-8-19-18(27)21-16(12)26/h4-8,10H,1-3H3,(H2,19,21,26,27)/t10-/m0/s1.
What are the key properties of 5-[1-methyl-3-[(1S)-1-(6-methyl-2-pyridinyl)ethoxy]pyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione?
5-[1-methyl-3-[(1S)-1-(6-methyl-2-pyridinyl)ethoxy]pyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 379.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-3-[(1S)-1-(6-methyl-2-pyridinyl)ethoxy]pyrazolo[3,4-c]pyridazin-5-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170786513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).