1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one

C20H25N7O2 — CID 155484486

IUPAC1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one
SMILESCN1CCN(c2ccc3[nH]nc(-c4cnn(C)c4)c3n2)C(C2CCOCC2)C1=O
InChIInChI=1S/C20H25N7O2/c1-25-7-8-27(19(20(25)28)13-5-9-29-10-6-13)16-4-3-15-18(22-16)17(24-23-15)14-11-21-26(2)12-14/h3-4,11-13,19H,5-10H2,1-2H3,(H,23,24)
InChIKeyAKNMXCIAZJAGND-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.43
Rot. Bonds3

About 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one

1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one (PubChem CID 155484486) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one
PubChem CID155484486
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one
SMILESCN1CCN(c2ccc3[nH]nc(-c4cnn(C)c4)c3n2)C(C2CCOCC2)C1=O
InChIInChI=1S/C20H25N7O2/c1-25-7-8-27(19(20(25)28)13-5-9-29-10-6-13)16-4-3-15-18(22-16)17(24-23-15)14-11-21-26(2)12-14/h3-4,11-13,19H,5-10H2,1-2H3,(H,23,24)
InChIKeyAKNMXCIAZJAGND-UHFFFAOYSA-N
XLogP1.43
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopropyl-3-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
CID 155484442
4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one
CID 155484485
8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one
CID 171357812
3-methyl-8-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3,8-diazabicyclo[3.2.1]octan-2-one
CID 146449145
1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one
CID 71253757
1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one
CID 90400794
2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
CID 137110383
3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid
CID 39220103
2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine
CID 137038844
5-(1-methylpyrazol-4-yl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109356
3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 139424388
3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 140816111

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one?
The IUPAC name of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one (CID 155484486) is 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one?
The canonical SMILES for 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one is CN1CCN(c2ccc3[nH]nc(-c4cnn(C)c4)c3n2)C(C2CCOCC2)C1=O.
What is the InChIKey of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one?
The InChIKey is AKNMXCIAZJAGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-25-7-8-27(19(20(25)28)13-5-9-29-10-6-13)16-4-3-15-18(22-16)17(24-23-15)14-11-21-26(2)12-14/h3-4,11-13,19H,5-10H2,1-2H3,(H,23,24).
What are the key properties of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one?
1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one has a molecular weight of 395.47 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one is sourced from PubChem (CID 155484486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).