4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide

C23H22FN7O3 — CID 122178419

IUPAC4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide
SMILESCCn1cc2c(Oc3cnc(C(=O)N4CCC4)c(F)c3)cc(C(=O)Nc3ccn(C)n3)cc2n1
InChIInChI=1S/C23H22FN7O3/c1-3-31-13-16-18(27-31)9-14(22(32)26-20-5-8-29(2)28-20)10-19(16)34-15-11-17(24)21(25-12-15)23(33)30-6-4-7-30/h5,8-13H,3-4,6-7H2,1-2H3,(H,26,28,32)
InChIKeyMNUXXTQWNAZGOT-UHFFFAOYSA-N
MW463.47 g/mol
LogP3.21
Rot. Bonds6

About 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide

4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide (PubChem CID 122178419) has the molecular formula C23H22FN7O3 and a molecular weight of 463.47 g/mol. Its IUPAC name is 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide.

Molecular Properties

Compound Name4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide
PubChem CID122178419
Molecular FormulaC23H22FN7O3
Molecular Weight463.47 g/mol
Exact Mass463.18
IUPAC Name4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide
SMILESCCn1cc2c(Oc3cnc(C(=O)N4CCC4)c(F)c3)cc(C(=O)Nc3ccn(C)n3)cc2n1
InChIInChI=1S/C23H22FN7O3/c1-3-31-13-16-18(27-31)9-14(22(32)26-20-5-8-29(2)28-20)10-19(16)34-15-11-17(24)21(25-12-15)23(33)30-6-4-7-30/h5,8-13H,3-4,6-7H2,1-2H3,(H,26,28,32)
InChIKeyMNUXXTQWNAZGOT-UHFFFAOYSA-N
XLogP3.21
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide?
The IUPAC name of 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide (CID 122178419) is 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide.
What is the SMILES notation for 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide?
The canonical SMILES for 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide is CCn1cc2c(Oc3cnc(C(=O)N4CCC4)c(F)c3)cc(C(=O)Nc3ccn(C)n3)cc2n1.
What is the InChIKey of 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide?
The InChIKey is MNUXXTQWNAZGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O3/c1-3-31-13-16-18(27-31)9-14(22(32)26-20-5-8-29(2)28-20)10-19(16)34-15-11-17(24)21(25-12-15)23(33)30-6-4-7-30/h5,8-13H,3-4,6-7H2,1-2H3,(H,26,28,32).
What are the key properties of 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide?
4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide has a molecular weight of 463.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(azetidine-1-carbonyl)-5-fluoro-3-pyridinyl]oxy]-2-ethyl-N-(1-methylpyrazol-3-yl)indazole-6-carboxamide is sourced from PubChem (CID 122178419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).