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

C20H18Cl2N6O2 — CID 162373710

IUPAC5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cn1
InChIInChI=1S/C20H18Cl2N6O2/c1-3-28-10-12(7-24-28)25-20(29)19-14-6-13(4-5-17(14)26-27-19)30-11(2)18-15(21)8-23-9-16(18)22/h4-11H,3H2,1-2H3,(H,25,29)(H,26,27)/t11-/m1/s1
InChIKeyNQWOXUNPHRERHM-LLVKDONJSA-N
MW445.31 g/mol
LogP4.87
Rot. Bonds6

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

5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 162373710) has the molecular formula C20H18Cl2N6O2 and a molecular weight of 445.31 g/mol. Its IUPAC name is 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID162373710
Molecular FormulaC20H18Cl2N6O2
Molecular Weight445.31 g/mol
Exact Mass444.09
IUPAC Name5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cn1
InChIInChI=1S/C20H18Cl2N6O2/c1-3-28-10-12(7-24-28)25-20(29)19-14-6-13(4-5-17(14)26-27-19)30-11(2)18-15(21)8-23-9-16(18)22/h4-11H,3H2,1-2H3,(H,25,29)(H,26,27)/t11-/m1/s1
InChIKeyNQWOXUNPHRERHM-LLVKDONJSA-N
XLogP4.87
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 162373710) is 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide is CCn1cc(NC(=O)c2n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cn1.
What is the InChIKey of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is NQWOXUNPHRERHM-LLVKDONJSA-N. The full InChI is InChI=1S/C20H18Cl2N6O2/c1-3-28-10-12(7-24-28)25-20(29)19-14-6-13(4-5-17(14)26-27-19)30-11(2)18-15(21)8-23-9-16(18)22/h4-11H,3H2,1-2H3,(H,25,29)(H,26,27)/t11-/m1/s1.
What are the key properties of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide?
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 445.31 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 162373710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).