2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide

C22H25N5O4 — CID 162649557

IUPAC2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide
SMILESCCOc1cccc(Nc2nn(C)c3c2Cc2cc(OCC)c(OCC(N)=O)cc2-3)n1
InChIInChI=1S/C22H25N5O4/c1-4-29-16-10-13-9-15-21(14(13)11-17(16)31-12-18(23)28)27(3)26-22(15)25-19-7-6-8-20(24-19)30-5-2/h6-8,10-11H,4-5,9,12H2,1-3H3,(H2,23,28)(H,24,25,26)
InChIKeyBZRMMDIKLRATFQ-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.79
Rot. Bonds9

About 2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide

2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide (PubChem CID 162649557) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide
PubChem CID162649557
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide
SMILESCCOc1cccc(Nc2nn(C)c3c2Cc2cc(OCC)c(OCC(N)=O)cc2-3)n1
InChIInChI=1S/C22H25N5O4/c1-4-29-16-10-13-9-15-21(14(13)11-17(16)31-12-18(23)28)27(3)26-22(15)25-19-7-6-8-20(24-19)30-5-2/h6-8,10-11H,4-5,9,12H2,1-3H3,(H2,23,28)(H,24,25,26)
InChIKeyBZRMMDIKLRATFQ-UHFFFAOYSA-N
XLogP2.79
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide?
The IUPAC name of 2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide (CID 162649557) is 2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide.
What is the SMILES notation for 2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide?
The canonical SMILES for 2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide is CCOc1cccc(Nc2nn(C)c3c2Cc2cc(OCC)c(OCC(N)=O)cc2-3)n1.
What is the InChIKey of 2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide?
The InChIKey is BZRMMDIKLRATFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-4-29-16-10-13-9-15-21(14(13)11-17(16)31-12-18(23)28)27(3)26-22(15)25-19-7-6-8-20(24-19)30-5-2/h6-8,10-11H,4-5,9,12H2,1-3H3,(H2,23,28)(H,24,25,26).
What are the key properties of 2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide?
2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide has a molecular weight of 423.47 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide is sourced from PubChem (CID 162649557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).