N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide

C22H20Cl2N6O2 — CID 162373742

About N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide

N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide (PubChem CID 162373742) has the molecular formula C22H20Cl2N6O2 and a molecular weight of 471.35 g/mol. Its IUPAC name is N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide
• PubChem CID: 162373742
• Molecular Formula: C22H20Cl2N6O2
• Molecular Weight: 471.35 g/mol
• Exact Mass: 470.10
• IUPAC Name: N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide
• SMILES: CC(Oc1ccc2[nH]nc(C(=O)Nc3cnn(C4CCC4)c3)c2c1)c1c(Cl)cncc1Cl
• InChI: InChI=1S/C22H20Cl2N6O2/c1-12(20-17(23)9-25-10-18(20)24)32-15-5-6-19-16(7-15)21(29-28-19)22(31)27-13-8-26-30(11-13)14-3-2-4-14/h5-12,14H,2-4H2,1H3,(H,27,31)(H,28,29)
• InChIKey: IADBVNORIZXNHB-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 97.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.35
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide?

The IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide (CID 162373742) is N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide?

The canonical SMILES for N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide is CC(Oc1ccc2[nH]nc(C(=O)Nc3cnn(C4CCC4)c3)c2c1)c1c(Cl)cncc1Cl.

What is the InChIKey of N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide?

The InChIKey is IADBVNORIZXNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N6O2/c1-12(20-17(23)9-25-10-18(20)24)32-15-5-6-19-16(7-15)21(29-28-19)22(31)27-13-8-26-30(11-13)14-3-2-4-14/h5-12,14H,2-4H2,1H3,(H,27,31)(H,28,29).

What are the key properties of N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide?

N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide has a molecular weight of 471.35 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide is sourced from PubChem (CID 162373742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).