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

C22H20Cl2N6O2 — CID 162373742

IUPACN-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide
SMILESCC(Oc1ccc2[nH]nc(C(=O)Nc3cnn(C4CCC4)c3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=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)
InChIKeyIADBVNORIZXNHB-UHFFFAOYSA-N
MW471.35 g/mol
LogP5.58
Rot. Bonds6

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 NameN-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide
PubChem CID162373742
Molecular FormulaC22H20Cl2N6O2
Molecular Weight471.35 g/mol
Exact Mass470.10
IUPAC NameN-(1-cyclobutylpyrazol-4-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole-3-carboxamide
SMILESCC(Oc1ccc2[nH]nc(C(=O)Nc3cnn(C4CCC4)c3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=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)
InChIKeyIADBVNORIZXNHB-UHFFFAOYSA-N
XLogP5.58
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.35
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).