(4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C23H27N5O4 — CID 135953587

IUPAC(4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3c2ccc(OC)c(OCC(C)C)c2)nn1
InChIInChI=1S/C23H27N5O4/c1-13(2)12-32-18-10-15(6-7-17(18)30-4)16-11-20(29)24-23-22(16)14(3)27-28(23)19-8-9-21(31-5)26-25-19/h6-10,13,16H,11-12H2,1-5H3,(H,24,29)/t16-/m0/s1
InChIKeyFCGHEVHNFKYROH-INIZCTEOSA-N
MW437.50 g/mol
LogP3.50
Rot. Bonds7

About (4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135953587) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is (4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135953587
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name(4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3c2ccc(OC)c(OCC(C)C)c2)nn1
InChIInChI=1S/C23H27N5O4/c1-13(2)12-32-18-10-15(6-7-17(18)30-4)16-11-20(29)24-23-22(16)14(3)27-28(23)19-8-9-21(31-5)26-25-19/h6-10,13,16H,11-12H2,1-5H3,(H,24,29)/t16-/m0/s1
InChIKeyFCGHEVHNFKYROH-INIZCTEOSA-N
XLogP3.50
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

(4R)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878737
(4R)-4-(4-bromophenyl)-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135940941
1-(6-chloropyridazin-3-yl)-4-(4-methoxy-3-prop-2-ynoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654838
4-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654989
4-(3-hydroxyphenyl)-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655216
(4S)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135940781
(4S)-1-(6-chloropyridazin-3-yl)-4-[3-methoxy-2-(2-methylpropoxy)phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135882725
4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655976
(4S)-1-(6-chloropyridazin-3-yl)-3-methyl-4-[2-(2-methylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135953717
4-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135658714
(4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-(3-methoxy-4-propoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871172
(4R)-4-(3-methoxy-4-propoxyphenyl)-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136903314

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135953587) is (4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3c2ccc(OC)c(OCC(C)C)c2)nn1.
What is the InChIKey of (4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is FCGHEVHNFKYROH-INIZCTEOSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-13(2)12-32-18-10-15(6-7-17(18)30-4)16-11-20(29)24-23-22(16)14(3)27-28(23)19-8-9-21(31-5)26-25-19/h6-10,13,16H,11-12H2,1-5H3,(H,24,29)/t16-/m0/s1.
What are the key properties of (4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 437.50 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135953587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).