3,3,3-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propan-1-amine

C21H18F3N5 — CID 118663783

IUPAC3,3,3-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propan-1-amine
SMILESCc1cccc(-n2ncc3ccc(-c4cccc(C(N)CC(F)(F)F)n4)cc32)n1
InChIInChI=1S/C21H18F3N5/c1-13-4-2-7-20(27-13)29-19-10-14(8-9-15(19)12-26-29)17-5-3-6-18(28-17)16(25)11-21(22,23)24/h2-10,12,16H,11,25H2,1H3
InChIKeyMEHRGNBJBYBAHW-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.74
Rot. Bonds4

About 3,3,3-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propan-1-amine

3,3,3-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propan-1-amine (PubChem CID 118663783) has the molecular formula C21H18F3N5 and a molecular weight of 397.40 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propan-1-amine
PubChem CID118663783
Molecular FormulaC21H18F3N5
Molecular Weight397.40 g/mol
Exact Mass397.15
IUPAC Name3,3,3-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propan-1-amine
SMILESCc1cccc(-n2ncc3ccc(-c4cccc(C(N)CC(F)(F)F)n4)cc32)n1
InChIInChI=1S/C21H18F3N5/c1-13-4-2-7-20(27-13)29-19-10-14(8-9-15(19)12-26-29)17-5-3-6-18(28-17)16(25)11-21(22,23)24/h2-10,12,16H,11,25H2,1H3
InChIKeyMEHRGNBJBYBAHW-UHFFFAOYSA-N
XLogP4.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propan-1-amine (CID 118663783) is 3,3,3-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propan-1-amine is Cc1cccc(-n2ncc3ccc(-c4cccc(C(N)CC(F)(F)F)n4)cc32)n1.
What is the InChIKey of 3,3,3-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propan-1-amine?
The InChIKey is MEHRGNBJBYBAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5/c1-13-4-2-7-20(27-13)29-19-10-14(8-9-15(19)12-26-29)17-5-3-6-18(28-17)16(25)11-21(22,23)24/h2-10,12,16H,11,25H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propan-1-amine?
3,3,3-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propan-1-amine has a molecular weight of 397.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 118663783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).