6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole

C23H20F3N5 — CID 118664126

IUPAC6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
SMILESCN1CCCC1c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C23H20F3N5/c1-30-12-4-7-19(30)18-6-2-5-17(28-18)15-10-11-16-14-27-31(20(16)13-15)22-9-3-8-21(29-22)23(24,25)26/h2-3,5-6,8-11,13-14,19H,4,7,12H2,1H3
InChIKeyYSHHGPPPWJWKHJ-UHFFFAOYSA-N
MW423.44 g/mol
LogP5.27
Rot. Bonds3

About 6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole

6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole (PubChem CID 118664126) has the molecular formula C23H20F3N5 and a molecular weight of 423.44 g/mol. Its IUPAC name is 6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole.

Molecular Properties

Compound Name6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
PubChem CID118664126
Molecular FormulaC23H20F3N5
Molecular Weight423.44 g/mol
Exact Mass423.17
IUPAC Name6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
SMILESCN1CCCC1c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C23H20F3N5/c1-30-12-4-7-19(30)18-6-2-5-17(28-18)15-10-11-16-14-27-31(20(16)13-15)22-9-3-8-21(29-22)23(24,25)26/h2-3,5-6,8-11,13-14,19H,4,7,12H2,1H3
InChIKeyYSHHGPPPWJWKHJ-UHFFFAOYSA-N
XLogP5.27
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.44
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]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 6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
The IUPAC name of 6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole (CID 118664126) is 6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole.
What is the SMILES notation for 6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
The canonical SMILES for 6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole is CN1CCCC1c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.
What is the InChIKey of 6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
The InChIKey is YSHHGPPPWJWKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5/c1-30-12-4-7-19(30)18-6-2-5-17(28-18)15-10-11-16-14-27-31(20(16)13-15)22-9-3-8-21(29-22)23(24,25)26/h2-3,5-6,8-11,13-14,19H,4,7,12H2,1H3.
What are the key properties of 6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole has a molecular weight of 423.44 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole is sourced from PubChem (CID 118664126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).