(4R)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one

C15H18N4O — CID 11161553

IUPAC(4R)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)c1nn2ccccc2c1C1=NNC(=O)C[C@H]1C
InChIInChI=1S/C15H18N4O/c1-9(2)14-13(11-6-4-5-7-19(11)18-14)15-10(3)8-12(20)16-17-15/h4-7,9-10H,8H2,1-3H3,(H,16,20)/t10-/m1/s1
InChIKeyFBMGIJYUJOIVIO-SNVBAGLBSA-N
MW270.34 g/mol
LogP2.32
Rot. Bonds2

About (4R)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one

(4R)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 11161553) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (4R)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(4R)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID11161553
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(4R)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)c1nn2ccccc2c1C1=NNC(=O)C[C@H]1C
InChIInChI=1S/C15H18N4O/c1-9(2)14-13(11-6-4-5-7-19(11)18-14)15-10(3)8-12(20)16-17-15/h4-7,9-10H,8H2,1-3H3,(H,16,20)/t10-/m1/s1
InChIKeyFBMGIJYUJOIVIO-SNVBAGLBSA-N
XLogP2.32
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (4R)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one (CID 11161553) is (4R)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (4R)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (4R)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one is CC(C)c1nn2ccccc2c1C1=NNC(=O)C[C@H]1C.
What is the InChIKey of (4R)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is FBMGIJYUJOIVIO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9(2)14-13(11-6-4-5-7-19(11)18-14)15-10(3)8-12(20)16-17-15/h4-7,9-10H,8H2,1-3H3,(H,16,20)/t10-/m1/s1.
What are the key properties of (4R)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one?
(4R)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 270.34 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 11161553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).