(4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C24H28N6O2 — CID 136703724

IUPAC(4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C24H28N6O2/c1-3-14-32-18-8-6-17(7-9-18)19-15-22(31)25-24-23(19)16(2)28-30(24)21-11-10-20(26-27-21)29-12-4-5-13-29/h6-11,19H,3-5,12-15H2,1-2H3,(H,25,31)/t19-/m1/s1
InChIKeyXJMXSEMRRDWMML-LJQANCHMSA-N
MW432.53 g/mol
LogP3.83
Rot. Bonds6

About (4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136703724) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is (4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136703724
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name(4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C24H28N6O2/c1-3-14-32-18-8-6-17(7-9-18)19-15-22(31)25-24-23(19)16(2)28-30(24)21-11-10-20(26-27-21)29-12-4-5-13-29/h6-11,19H,3-5,12-15H2,1-2H3,(H,25,31)/t19-/m1/s1
InChIKeyXJMXSEMRRDWMML-LJQANCHMSA-N
XLogP3.83
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136703724) is (4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)cc1.
What is the InChIKey of (4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is XJMXSEMRRDWMML-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-3-14-32-18-8-6-17(7-9-18)19-15-22(31)25-24-23(19)16(2)28-30(24)21-11-10-20(26-27-21)29-12-4-5-13-29/h6-11,19H,3-5,12-15H2,1-2H3,(H,25,31)/t19-/m1/s1.
What are the key properties of (4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 432.53 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methyl-4-(4-propoxyphenyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136703724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).