N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-pyrazolo[5,4-b]pyridin-1-ylacetamide

C26H21FN6O5 — CID 11962582

IUPACN-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-pyrazolo[5,4-b]pyridin-1-ylacetamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NC(=O)Cn4ncc5cccnc54)cc3F)c2cc1OC
InChIInChI=1S/C26H21FN6O5/c1-36-22-11-17-19(12-23(22)37-2)28-9-7-20(17)38-21-6-5-16(10-18(21)27)31-26(35)32-24(34)14-33-25-15(13-30-33)4-3-8-29-25/h3-13H,14H2,1-2H3,(H2,31,32,34,35)
InChIKeyGBWDDJRJXNCWDR-UHFFFAOYSA-N
MW516.49 g/mol
LogP4.28
Rot. Bonds7

About N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-pyrazolo[5,4-b]pyridin-1-ylacetamide

N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-pyrazolo[5,4-b]pyridin-1-ylacetamide (PubChem CID 11962582) has the molecular formula C26H21FN6O5 and a molecular weight of 516.49 g/mol. Its IUPAC name is N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-pyrazolo[5,4-b]pyridin-1-ylacetamide.

Molecular Properties

Compound NameN-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-pyrazolo[5,4-b]pyridin-1-ylacetamide
PubChem CID11962582
Molecular FormulaC26H21FN6O5
Molecular Weight516.49 g/mol
Exact Mass516.16
IUPAC NameN-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-pyrazolo[5,4-b]pyridin-1-ylacetamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NC(=O)Cn4ncc5cccnc54)cc3F)c2cc1OC
InChIInChI=1S/C26H21FN6O5/c1-36-22-11-17-19(12-23(22)37-2)28-9-7-20(17)38-21-6-5-16(10-18(21)27)31-26(35)32-24(34)14-33-25-15(13-30-33)4-3-8-29-25/h3-13H,14H2,1-2H3,(H2,31,32,34,35)
InChIKeyGBWDDJRJXNCWDR-UHFFFAOYSA-N
XLogP4.28
TPSA129.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-pyrazolo[5,4-b]pyridin-1-ylacetamide?
The IUPAC name of N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-pyrazolo[5,4-b]pyridin-1-ylacetamide (CID 11962582) is N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-pyrazolo[5,4-b]pyridin-1-ylacetamide.
What is the SMILES notation for N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-pyrazolo[5,4-b]pyridin-1-ylacetamide?
The canonical SMILES for N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-pyrazolo[5,4-b]pyridin-1-ylacetamide is COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)Cn4ncc5cccnc54)cc3F)c2cc1OC.
What is the InChIKey of N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-pyrazolo[5,4-b]pyridin-1-ylacetamide?
The InChIKey is GBWDDJRJXNCWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6O5/c1-36-22-11-17-19(12-23(22)37-2)28-9-7-20(17)38-21-6-5-16(10-18(21)27)31-26(35)32-24(34)14-33-25-15(13-30-33)4-3-8-29-25/h3-13H,14H2,1-2H3,(H2,31,32,34,35).
What are the key properties of N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-pyrazolo[5,4-b]pyridin-1-ylacetamide?
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-pyrazolo[5,4-b]pyridin-1-ylacetamide has a molecular weight of 516.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-pyrazolo[5,4-b]pyridin-1-ylacetamide is sourced from PubChem (CID 11962582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).