N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine

C24H22F3N5 — CID 10181550

IUPACN-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)cc(C2CCNCC2)n1
InChIInChI=1S/C24H22F3N5/c25-24(26,27)19-7-3-1-5-17(19)22-14-16(13-21(30-22)15-9-11-28-12-10-15)29-23-18-6-2-4-8-20(18)31-32-23/h1-8,13-15,28H,9-12H2,(H2,29,30,31,32)
InChIKeyWSSOIWYGFUAQRF-UHFFFAOYSA-N
MW437.47 g/mol
LogP5.85
Rot. Bonds4

About N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine

N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine (PubChem CID 10181550) has the molecular formula C24H22F3N5 and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine
PubChem CID10181550
Molecular FormulaC24H22F3N5
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC NameN-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)cc(C2CCNCC2)n1
InChIInChI=1S/C24H22F3N5/c25-24(26,27)19-7-3-1-5-17(19)22-14-16(13-21(30-22)15-9-11-28-12-10-15)29-23-18-6-2-4-8-20(18)31-32-23/h1-8,13-15,28H,9-12H2,(H2,29,30,31,32)
InChIKeyWSSOIWYGFUAQRF-UHFFFAOYSA-N
XLogP5.85
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.47
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine?
The IUPAC name of N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine (CID 10181550) is N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine.
What is the SMILES notation for N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine?
The canonical SMILES for N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine is FC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)cc(C2CCNCC2)n1.
What is the InChIKey of N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine?
The InChIKey is WSSOIWYGFUAQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5/c25-24(26,27)19-7-3-1-5-17(19)22-14-16(13-21(30-22)15-9-11-28-12-10-15)29-23-18-6-2-4-8-20(18)31-32-23/h1-8,13-15,28H,9-12H2,(H2,29,30,31,32).
What are the key properties of N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine?
N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine has a molecular weight of 437.47 g/mol, XLogP of 5.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine is sourced from PubChem (CID 10181550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).