6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H25N7O2 — CID 137224863

IUPAC6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(N3CCCC3Cn3nc(C(C)(C)C)ccc3=O)nc21
InChIInChI=1S/C19H25N7O2/c1-19(2,3)14-7-8-15(27)26(23-14)11-12-6-5-9-25(12)18-21-16-13(17(28)22-18)10-20-24(16)4/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,21,22,28)
InChIKeyCUENGXBLGDZRKS-UHFFFAOYSA-N
MW383.46 g/mol
LogP1.18
Rot. Bonds3

About 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137224863) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137224863
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(N3CCCC3Cn3nc(C(C)(C)C)ccc3=O)nc21
InChIInChI=1S/C19H25N7O2/c1-19(2,3)14-7-8-15(27)26(23-14)11-12-6-5-9-25(12)18-21-16-13(17(28)22-18)10-20-24(16)4/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,21,22,28)
InChIKeyCUENGXBLGDZRKS-UHFFFAOYSA-N
XLogP1.18
TPSA101.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137224863) is 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(N3CCCC3Cn3nc(C(C)(C)C)ccc3=O)nc21.
What is the InChIKey of 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CUENGXBLGDZRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-19(2,3)14-7-8-15(27)26(23-14)11-12-6-5-9-25(12)18-21-16-13(17(28)22-18)10-20-24(16)4/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,21,22,28).
What are the key properties of 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 383.46 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137224863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).