5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole

C23H19Cl2F2N5O — CID 171408965

IUPAC5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CC(C(F)F)C4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C23H19Cl2F2N5O/c1-12(21-17(24)8-28-9-18(21)25)33-15-3-4-19-16(6-15)22(31-30-19)13-2-5-20(29-7-13)32-10-14(11-32)23(26)27/h2-9,12,14,23H,10-11H2,1H3,(H,30,31)/t12-/m1/s1
InChIKeyGCKFJBUNHGFQLN-GFCCVEGCSA-N
MW490.34 g/mol
LogP6.17
Rot. Bonds6

About 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole

5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole (PubChem CID 171408965) has the molecular formula C23H19Cl2F2N5O and a molecular weight of 490.34 g/mol. Its IUPAC name is 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole
PubChem CID171408965
Molecular FormulaC23H19Cl2F2N5O
Molecular Weight490.34 g/mol
Exact Mass489.09
IUPAC Name5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CC(C(F)F)C4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C23H19Cl2F2N5O/c1-12(21-17(24)8-28-9-18(21)25)33-15-3-4-19-16(6-15)22(31-30-19)13-2-5-20(29-7-13)32-10-14(11-32)23(26)27/h2-9,12,14,23H,10-11H2,1H3,(H,30,31)/t12-/m1/s1
InChIKeyGCKFJBUNHGFQLN-GFCCVEGCSA-N
XLogP6.17
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.34
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole?
The IUPAC name of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole (CID 171408965) is 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole.
What is the SMILES notation for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole?
The canonical SMILES for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole is C[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CC(C(F)F)C4)nc3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole?
The InChIKey is GCKFJBUNHGFQLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C23H19Cl2F2N5O/c1-12(21-17(24)8-28-9-18(21)25)33-15-3-4-19-16(6-15)22(31-30-19)13-2-5-20(29-7-13)32-10-14(11-32)23(26)27/h2-9,12,14,23H,10-11H2,1H3,(H,30,31)/t12-/m1/s1.
What are the key properties of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole?
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole has a molecular weight of 490.34 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-[3-(difluoromethyl)azetidin-1-yl]-3-pyridinyl]-1H-indazole is sourced from PubChem (CID 171408965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).