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

C20H18Cl2N6O2 — CID 162373704

IUPAC5-[1-(3,5-dichloro-4-pyridinyl)propoxy]-N-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCCC(Oc1ccc2[nH]nc(C(=O)Nc3cnn(C)c3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C20H18Cl2N6O2/c1-3-17(18-14(21)8-23-9-15(18)22)30-12-4-5-16-13(6-12)19(27-26-16)20(29)25-11-7-24-28(2)10-11/h4-10,17H,3H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyOGIZUIBQXJWMQU-UHFFFAOYSA-N
MW445.31 g/mol
LogP4.78
Rot. Bonds6

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

5-[1-(3,5-dichloro-4-pyridinyl)propoxy]-N-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 162373704) has the molecular formula C20H18Cl2N6O2 and a molecular weight of 445.31 g/mol. Its IUPAC name is 5-[1-(3,5-dichloro-4-pyridinyl)propoxy]-N-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(3,5-dichloro-4-pyridinyl)propoxy]-N-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID162373704
Molecular FormulaC20H18Cl2N6O2
Molecular Weight445.31 g/mol
Exact Mass444.09
IUPAC Name5-[1-(3,5-dichloro-4-pyridinyl)propoxy]-N-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCCC(Oc1ccc2[nH]nc(C(=O)Nc3cnn(C)c3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C20H18Cl2N6O2/c1-3-17(18-14(21)8-23-9-15(18)22)30-12-4-5-16-13(6-12)19(27-26-16)20(29)25-11-7-24-28(2)10-11/h4-10,17H,3H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyOGIZUIBQXJWMQU-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)propoxy]-N-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)propoxy]-N-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 162373704) is 5-[1-(3,5-dichloro-4-pyridinyl)propoxy]-N-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[1-(3,5-dichloro-4-pyridinyl)propoxy]-N-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[1-(3,5-dichloro-4-pyridinyl)propoxy]-N-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is CCC(Oc1ccc2[nH]nc(C(=O)Nc3cnn(C)c3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 5-[1-(3,5-dichloro-4-pyridinyl)propoxy]-N-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is OGIZUIBQXJWMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N6O2/c1-3-17(18-14(21)8-23-9-15(18)22)30-12-4-5-16-13(6-12)19(27-26-16)20(29)25-11-7-24-28(2)10-11/h4-10,17H,3H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 5-[1-(3,5-dichloro-4-pyridinyl)propoxy]-N-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
5-[1-(3,5-dichloro-4-pyridinyl)propoxy]-N-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 445.31 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dichloro-4-pyridinyl)propoxy]-N-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 162373704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).