(4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C21H23N5O3 — CID 135940995

IUPAC(4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2cccc(OC(C)C)c2)nn1
InChIInChI=1S/C21H23N5O3/c1-12(2)29-15-7-5-6-14(10-15)16-11-18(27)22-21-20(16)13(3)25-26(21)17-8-9-19(28-4)24-23-17/h5-10,12,16H,11H2,1-4H3,(H,22,27)/t16-/m1/s1
InChIKeyODAIFURWEFJHNQ-MRXNPFEDSA-N
MW393.45 g/mol
LogP3.24
Rot. Bonds5

About (4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135940995) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is (4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135940995
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name(4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2cccc(OC(C)C)c2)nn1
InChIInChI=1S/C21H23N5O3/c1-12(2)29-15-7-5-6-14(10-15)16-11-18(27)22-21-20(16)13(3)25-26(21)17-8-9-19(28-4)24-23-17/h5-10,12,16H,11H2,1-4H3,(H,22,27)/t16-/m1/s1
InChIKeyODAIFURWEFJHNQ-MRXNPFEDSA-N
XLogP3.24
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-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)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135940995) is (4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2cccc(OC(C)C)c2)nn1.
What is the InChIKey of (4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ODAIFURWEFJHNQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-12(2)29-15-7-5-6-14(10-15)16-11-18(27)22-21-20(16)13(3)25-26(21)17-8-9-19(28-4)24-23-17/h5-10,12,16H,11H2,1-4H3,(H,22,27)/t16-/m1/s1.
What are the key properties of (4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 393.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135940995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).