(2S)-1-[[5-(3-cyclopropyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine

C30H28N4O — CID 11684029

IUPAC(2S)-1-[[5-(3-cyclopropyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine
SMILESN[C@H](COc1cnc(-c2ccccc2)c(-c2ccc3n[nH]c(C4CC4)c3c2)c1)Cc1ccccc1
InChIInChI=1S/C30H28N4O/c31-24(15-20-7-3-1-4-8-20)19-35-25-17-26(29(32-18-25)21-9-5-2-6-10-21)23-13-14-28-27(16-23)30(34-33-28)22-11-12-22/h1-10,13-14,16-18,22,24H,11-12,15,19,31H2,(H,33,34)/t24-/m0/s1
InChIKeyFSNVAYSNHFDEAX-DEOSSOPVSA-N
MW460.58 g/mol
LogP6.12
Rot. Bonds8

About (2S)-1-[[5-(3-cyclopropyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine

(2S)-1-[[5-(3-cyclopropyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine (PubChem CID 11684029) has the molecular formula C30H28N4O and a molecular weight of 460.58 g/mol. Its IUPAC name is (2S)-1-[[5-(3-cyclopropyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(3-cyclopropyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine
PubChem CID11684029
Molecular FormulaC30H28N4O
Molecular Weight460.58 g/mol
Exact Mass460.23
IUPAC Name(2S)-1-[[5-(3-cyclopropyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine
SMILESN[C@H](COc1cnc(-c2ccccc2)c(-c2ccc3n[nH]c(C4CC4)c3c2)c1)Cc1ccccc1
InChIInChI=1S/C30H28N4O/c31-24(15-20-7-3-1-4-8-20)19-35-25-17-26(29(32-18-25)21-9-5-2-6-10-21)23-13-14-28-27(16-23)30(34-33-28)22-11-12-22/h1-10,13-14,16-18,22,24H,11-12,15,19,31H2,(H,33,34)/t24-/m0/s1
InChIKeyFSNVAYSNHFDEAX-DEOSSOPVSA-N
XLogP6.12
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(3-cyclopropyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The IUPAC name of (2S)-1-[[5-(3-cyclopropyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine (CID 11684029) is (2S)-1-[[5-(3-cyclopropyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(3-cyclopropyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The canonical SMILES for (2S)-1-[[5-(3-cyclopropyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine is N[C@H](COc1cnc(-c2ccccc2)c(-c2ccc3n[nH]c(C4CC4)c3c2)c1)Cc1ccccc1.
What is the InChIKey of (2S)-1-[[5-(3-cyclopropyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The InChIKey is FSNVAYSNHFDEAX-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H28N4O/c31-24(15-20-7-3-1-4-8-20)19-35-25-17-26(29(32-18-25)21-9-5-2-6-10-21)23-13-14-28-27(16-23)30(34-33-28)22-11-12-22/h1-10,13-14,16-18,22,24H,11-12,15,19,31H2,(H,33,34)/t24-/m0/s1.
What are the key properties of (2S)-1-[[5-(3-cyclopropyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
(2S)-1-[[5-(3-cyclopropyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine has a molecular weight of 460.58 g/mol, XLogP of 6.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-(3-cyclopropyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-amine is sourced from PubChem (CID 11684029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).