(2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide

C24H24N4O2 — CID 94079007

IUPAC(2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
SMILESCc1cc(O[C@@H](C)C(=O)NCc2ccccc2)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-16-14-21(30-18(3)24(29)25-15-19-10-6-4-7-11-19)26-23-22(16)17(2)27-28(23)20-12-8-5-9-13-20/h4-14,18H,15H2,1-3H3,(H,25,29)/t18-/m0/s1
InChIKeyJILZCZYMHSMIMA-SFHVURJKSA-N
MW400.48 g/mol
LogP4.12
Rot. Bonds6

About (2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide

(2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide (PubChem CID 94079007) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
PubChem CID94079007
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name(2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
SMILESCc1cc(O[C@@H](C)C(=O)NCc2ccccc2)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-16-14-21(30-18(3)24(29)25-15-19-10-6-4-7-11-19)26-23-22(16)17(2)27-28(23)20-12-8-5-9-13-20/h4-14,18H,15H2,1-3H3,(H,25,29)/t18-/m0/s1
InChIKeyJILZCZYMHSMIMA-SFHVURJKSA-N
XLogP4.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The IUPAC name of (2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide (CID 94079007) is (2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide.
What is the SMILES notation for (2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The canonical SMILES for (2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide is Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2)nc2c1c(C)nn2-c1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The InChIKey is JILZCZYMHSMIMA-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-14-21(30-18(3)24(29)25-15-19-10-6-4-7-11-19)26-23-22(16)17(2)27-28(23)20-12-8-5-9-13-20/h4-14,18H,15H2,1-3H3,(H,25,29)/t18-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
(2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide has a molecular weight of 400.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide is sourced from PubChem (CID 94079007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).