(4S)-1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C18H16ClN5O2 — CID 135930872

IUPAC(4S)-1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(Cl)nn1
InChIInChI=1S/C18H16ClN5O2/c1-10-17-12(11-5-3-4-6-13(11)26-2)9-16(25)20-18(17)24(23-10)15-8-7-14(19)21-22-15/h3-8,12H,9H2,1-2H3,(H,20,25)/t12-/m1/s1
InChIKeyIXTWDEBHYAFART-GFCCVEGCSA-N
MW369.81 g/mol
LogP3.11
Rot. Bonds3

About (4S)-1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135930872) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is (4S)-1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135930872
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name(4S)-1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(Cl)nn1
InChIInChI=1S/C18H16ClN5O2/c1-10-17-12(11-5-3-4-6-13(11)26-2)9-16(25)20-18(17)24(23-10)15-8-7-14(19)21-22-15/h3-8,12H,9H2,1-2H3,(H,20,25)/t12-/m1/s1
InChIKeyIXTWDEBHYAFART-GFCCVEGCSA-N
XLogP3.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135930872) is (4S)-1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(Cl)nn1.
What is the InChIKey of (4S)-1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is IXTWDEBHYAFART-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-10-17-12(11-5-3-4-6-13(11)26-2)9-16(25)20-18(17)24(23-10)15-8-7-14(19)21-22-15/h3-8,12H,9H2,1-2H3,(H,20,25)/t12-/m1/s1.
What are the key properties of (4S)-1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 369.81 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135930872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).