1-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-5-methoxypyrazolo[5,4-b]pyridine-3-carboxamide

C19H19N5O4 — CID 121481368

IUPAC1-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-5-methoxypyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCOc1cnc2c(c1)c(C(N)=O)nn2-c1cccc([C@]2(O)CCN(C)C2=O)c1
InChIInChI=1S/C19H19N5O4/c1-23-7-6-19(27,18(23)26)11-4-3-5-12(8-11)24-17-14(15(22-24)16(20)25)9-13(28-2)10-21-17/h3-5,8-10,27H,6-7H2,1-2H3,(H2,20,25)/t19-/m1/s1
InChIKeyXTBCDDADCNZWPK-LJQANCHMSA-N
MW381.39 g/mol
LogP0.58
Rot. Bonds4

About 1-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-5-methoxypyrazolo[5,4-b]pyridine-3-carboxamide

1-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-5-methoxypyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 121481368) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 1-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-5-methoxypyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-5-methoxypyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID121481368
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name1-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-5-methoxypyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCOc1cnc2c(c1)c(C(N)=O)nn2-c1cccc([C@]2(O)CCN(C)C2=O)c1
InChIInChI=1S/C19H19N5O4/c1-23-7-6-19(27,18(23)26)11-4-3-5-12(8-11)24-17-14(15(22-24)16(20)25)9-13(28-2)10-21-17/h3-5,8-10,27H,6-7H2,1-2H3,(H2,20,25)/t19-/m1/s1
InChIKeyXTBCDDADCNZWPK-LJQANCHMSA-N
XLogP0.58
TPSA123.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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US9605005, Example 154
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US9605005, Example 65
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US9605005, Example 173
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US10544143, Example 6
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US9605005, Example 73
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US10544143, Example 732
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US10544143, Example 733
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CID 168678807

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-5-methoxypyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of 1-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-5-methoxypyrazolo[5,4-b]pyridine-3-carboxamide (CID 121481368) is 1-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-5-methoxypyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-5-methoxypyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-5-methoxypyrazolo[5,4-b]pyridine-3-carboxamide is COc1cnc2c(c1)c(C(N)=O)nn2-c1cccc([C@]2(O)CCN(C)C2=O)c1.
What is the InChIKey of 1-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-5-methoxypyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is XTBCDDADCNZWPK-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-23-7-6-19(27,18(23)26)11-4-3-5-12(8-11)24-17-14(15(22-24)16(20)25)9-13(28-2)10-21-17/h3-5,8-10,27H,6-7H2,1-2H3,(H2,20,25)/t19-/m1/s1.
What are the key properties of 1-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-5-methoxypyrazolo[5,4-b]pyridine-3-carboxamide?
1-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-5-methoxypyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-5-methoxypyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 121481368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).