2-[3-(4-methoxy-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

C25H27N5O3 — CID 70817276

IUPAC2-[3-(4-methoxy-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCOc1ccnc(-c2nn(C)c3nc(OCC(=O)N[C@@H](C)c4ccc(C)cc4)cc(C)c23)c1
InChIInChI=1S/C25H27N5O3/c1-15-6-8-18(9-7-15)17(3)27-21(31)14-33-22-12-16(2)23-24(29-30(4)25(23)28-22)20-13-19(32-5)10-11-26-20/h6-13,17H,14H2,1-5H3,(H,27,31)/t17-/m0/s1
InChIKeyKUHPLWASZXQETH-KRWDZBQOSA-N
MW445.52 g/mol
LogP3.91
Rot. Bonds7

About 2-[3-(4-methoxy-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

2-[3-(4-methoxy-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 70817276) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[3-(4-methoxy-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxy-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
PubChem CID70817276
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name2-[3-(4-methoxy-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCOc1ccnc(-c2nn(C)c3nc(OCC(=O)N[C@@H](C)c4ccc(C)cc4)cc(C)c23)c1
InChIInChI=1S/C25H27N5O3/c1-15-6-8-18(9-7-15)17(3)27-21(31)14-33-22-12-16(2)23-24(29-30(4)25(23)28-22)20-13-19(32-5)10-11-26-20/h6-13,17H,14H2,1-5H3,(H,27,31)/t17-/m0/s1
InChIKeyKUHPLWASZXQETH-KRWDZBQOSA-N
XLogP3.91
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxy-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[3-(4-methoxy-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (CID 70817276) is 2-[3-(4-methoxy-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(4-methoxy-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-(4-methoxy-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is COc1ccnc(-c2nn(C)c3nc(OCC(=O)N[C@@H](C)c4ccc(C)cc4)cc(C)c23)c1.
What is the InChIKey of 2-[3-(4-methoxy-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is KUHPLWASZXQETH-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-15-6-8-18(9-7-15)17(3)27-21(31)14-33-22-12-16(2)23-24(29-30(4)25(23)28-22)20-13-19(32-5)10-11-26-20/h6-13,17H,14H2,1-5H3,(H,27,31)/t17-/m0/s1.
What are the key properties of 2-[3-(4-methoxy-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
2-[3-(4-methoxy-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 445.52 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxy-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 70817276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).