1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one

C12H15N3O — CID 135903354

IUPAC1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1cnn2[C@@H](C)C1CC1
InChIInChI=1S/C12H15N3O/c1-7-5-11(16)14-12-10(7)6-13-15(12)8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,14,16)/t8-/m0/s1
InChIKeyCQPZGBQVMVGDQG-QMMMGPOBSA-N
MW217.27 g/mol
LogP2.00
Rot. Bonds2

About 1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one

1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135903354) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135903354
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1cnn2[C@@H](C)C1CC1
InChIInChI=1S/C12H15N3O/c1-7-5-11(16)14-12-10(7)6-13-15(12)8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,14,16)/t8-/m0/s1
InChIKeyCQPZGBQVMVGDQG-QMMMGPOBSA-N
XLogP2.00
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135903354) is 1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1cc(=O)[nH]c2c1cnn2[C@@H](C)C1CC1.
What is the InChIKey of 1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is CQPZGBQVMVGDQG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-5-11(16)14-12-10(7)6-13-15(12)8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,14,16)/t8-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 217.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135903354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).