(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine

C20H17F2N5 — CID 118664176

IUPAC(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)F)n4)c3c2)n1
InChIInChI=1S/C20H17F2N5/c1-12(23)15-4-2-5-16(25-15)13-8-9-14-11-24-27(18(14)10-13)19-7-3-6-17(26-19)20(21)22/h2-12,20H,23H2,1H3/t12-/m0/s1
InChIKeyXCNCDGOTUAZBFI-LBPRGKRZSA-N
MW365.39 g/mol
LogP4.44
Rot. Bonds4

About (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine

(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine (PubChem CID 118664176) has the molecular formula C20H17F2N5 and a molecular weight of 365.39 g/mol. Its IUPAC name is (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
PubChem CID118664176
Molecular FormulaC20H17F2N5
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)F)n4)c3c2)n1
InChIInChI=1S/C20H17F2N5/c1-12(23)15-4-2-5-16(25-15)13-8-9-14-11-24-27(18(14)10-13)19-7-3-6-17(26-19)20(21)22/h2-12,20H,23H2,1H3/t12-/m0/s1
InChIKeyXCNCDGOTUAZBFI-LBPRGKRZSA-N
XLogP4.44
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine (CID 118664176) is (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine is C[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)F)n4)c3c2)n1.
What is the InChIKey of (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine?
The InChIKey is XCNCDGOTUAZBFI-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17F2N5/c1-12(23)15-4-2-5-16(25-15)13-8-9-14-11-24-27(18(14)10-13)19-7-3-6-17(26-19)20(21)22/h2-12,20H,23H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine?
(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine has a molecular weight of 365.39 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 118664176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).