(1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine

C23H24N4 — CID 164915522

IUPAC(1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine
SMILESCC(C)n1nc(-c2ccccc2[C@@H](N)Cc2ccccn2)c2ccccc21
InChIInChI=1S/C23H24N4/c1-16(2)27-22-13-6-5-12-20(22)23(26-27)19-11-4-3-10-18(19)21(24)15-17-9-7-8-14-25-17/h3-14,16,21H,15,24H2,1-2H3/t21-/m0/s1
InChIKeyPEZGJMVPHPLSDL-NRFANRHFSA-N
MW356.47 g/mol
LogP4.92
Rot. Bonds5

About (1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine

(1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine (PubChem CID 164915522) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is (1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine
PubChem CID164915522
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name(1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine
SMILESCC(C)n1nc(-c2ccccc2[C@@H](N)Cc2ccccn2)c2ccccc21
InChIInChI=1S/C23H24N4/c1-16(2)27-22-13-6-5-12-20(22)23(26-27)19-11-4-3-10-18(19)21(24)15-17-9-7-8-14-25-17/h3-14,16,21H,15,24H2,1-2H3/t21-/m0/s1
InChIKeyPEZGJMVPHPLSDL-NRFANRHFSA-N
XLogP4.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine?
The IUPAC name of (1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine (CID 164915522) is (1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine is CC(C)n1nc(-c2ccccc2[C@@H](N)Cc2ccccn2)c2ccccc21.
What is the InChIKey of (1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine?
The InChIKey is PEZGJMVPHPLSDL-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N4/c1-16(2)27-22-13-6-5-12-20(22)23(26-27)19-11-4-3-10-18(19)21(24)15-17-9-7-8-14-25-17/h3-14,16,21H,15,24H2,1-2H3/t21-/m0/s1.
What are the key properties of (1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine?
(1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine has a molecular weight of 356.47 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 164915522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).