2-(1,4-dimethyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

C22H28N4O2 — CID 70817109

IUPAC2-(1,4-dimethyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(C(C)C)nn(C)c3n2)cc1
InChIInChI=1S/C22H28N4O2/c1-13(2)21-20-15(4)11-19(24-22(20)26(6)25-21)28-12-18(27)23-16(5)17-9-7-14(3)8-10-17/h7-11,13,16H,12H2,1-6H3,(H,23,27)/t16-/m0/s1
InChIKeyCITUDCOPJFTZRP-INIZCTEOSA-N
MW380.49 g/mol
LogP3.96
Rot. Bonds6

About 2-(1,4-dimethyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

2-(1,4-dimethyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 70817109) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(1,4-dimethyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,4-dimethyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
PubChem CID70817109
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-(1,4-dimethyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(C(C)C)nn(C)c3n2)cc1
InChIInChI=1S/C22H28N4O2/c1-13(2)21-20-15(4)11-19(24-22(20)26(6)25-21)28-12-18(27)23-16(5)17-9-7-14(3)8-10-17/h7-11,13,16H,12H2,1-6H3,(H,23,27)/t16-/m0/s1
InChIKeyCITUDCOPJFTZRP-INIZCTEOSA-N
XLogP3.96
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(1,4-dimethyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (CID 70817109) is 2-(1,4-dimethyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1,4-dimethyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1,4-dimethyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(C(C)C)nn(C)c3n2)cc1.
What is the InChIKey of 2-(1,4-dimethyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is CITUDCOPJFTZRP-INIZCTEOSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-13(2)21-20-15(4)11-19(24-22(20)26(6)25-21)28-12-18(27)23-16(5)17-9-7-14(3)8-10-17/h7-11,13,16H,12H2,1-6H3,(H,23,27)/t16-/m0/s1.
What are the key properties of 2-(1,4-dimethyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
2-(1,4-dimethyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 70817109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).