5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole

C24H26Cl2N6O — CID 171408846

IUPAC5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole
SMILESCc1ncc(Cl)c([C@@H](C)Oc2ccc3[nH]nc(-c4cnn(C5CCN(C)CC5)c4)c3c2)c1Cl
InChIInChI=1S/C24H26Cl2N6O/c1-14-23(26)22(20(25)12-27-14)15(2)33-18-4-5-21-19(10-18)24(30-29-21)16-11-28-32(13-16)17-6-8-31(3)9-7-17/h4-5,10-13,15,17H,6-9H2,1-3H3,(H,29,30)/t15-/m1/s1
InChIKeySLGGCNGDHJBWNF-OAHLLOKOSA-N
MW485.42 g/mol
LogP5.84
Rot. Bonds5

About 5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole

5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole (PubChem CID 171408846) has the molecular formula C24H26Cl2N6O and a molecular weight of 485.42 g/mol. Its IUPAC name is 5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole
PubChem CID171408846
Molecular FormulaC24H26Cl2N6O
Molecular Weight485.42 g/mol
Exact Mass484.15
IUPAC Name5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole
SMILESCc1ncc(Cl)c([C@@H](C)Oc2ccc3[nH]nc(-c4cnn(C5CCN(C)CC5)c4)c3c2)c1Cl
InChIInChI=1S/C24H26Cl2N6O/c1-14-23(26)22(20(25)12-27-14)15(2)33-18-4-5-21-19(10-18)24(30-29-21)16-11-28-32(13-16)17-6-8-31(3)9-7-17/h4-5,10-13,15,17H,6-9H2,1-3H3,(H,29,30)/t15-/m1/s1
InChIKeySLGGCNGDHJBWNF-OAHLLOKOSA-N
XLogP5.84
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.42
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole?
The IUPAC name of 5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole (CID 171408846) is 5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole.
What is the SMILES notation for 5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole?
The canonical SMILES for 5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole is Cc1ncc(Cl)c([C@@H](C)Oc2ccc3[nH]nc(-c4cnn(C5CCN(C)CC5)c4)c3c2)c1Cl.
What is the InChIKey of 5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole?
The InChIKey is SLGGCNGDHJBWNF-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H26Cl2N6O/c1-14-23(26)22(20(25)12-27-14)15(2)33-18-4-5-21-19(10-18)24(30-29-21)16-11-28-32(13-16)17-6-8-31(3)9-7-17/h4-5,10-13,15,17H,6-9H2,1-3H3,(H,29,30)/t15-/m1/s1.
What are the key properties of 5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole?
5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole has a molecular weight of 485.42 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole is sourced from PubChem (CID 171408846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).