cis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine

C25H29N5O — CID 154640010

IUPACcis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc([C@@H]5CCCC[C@@H]5N)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H29N5O/c1-14(2)22-19-13-17(24-29-30-25(31-24)18-6-4-5-7-20(18)26)8-9-21(19)28-23(22)16-10-11-27-15(3)12-16/h8-14,18,20,28H,4-7,26H2,1-3H3/t18-,20+/m1/s1
InChIKeyBGEFNNHPJNQXAI-QUCCMNQESA-N
MW415.54 g/mol
LogP5.70
Rot. Bonds4

About cis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine

cis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine (PubChem CID 154640010) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is cis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine
PubChem CID154640010
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Namecis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc([C@@H]5CCCC[C@@H]5N)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H29N5O/c1-14(2)22-19-13-17(24-29-30-25(31-24)18-6-4-5-7-20(18)26)8-9-21(19)28-23(22)16-10-11-27-15(3)12-16/h8-14,18,20,28H,4-7,26H2,1-3H3/t18-,20+/m1/s1
InChIKeyBGEFNNHPJNQXAI-QUCCMNQESA-N
XLogP5.70
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine (CID 154640010) is cis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine is Cc1cc(-c2[nH]c3ccc(-c4nnc([C@@H]5CCCC[C@@H]5N)o4)cc3c2C(C)C)ccn1.
What is the InChIKey of cis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine?
The InChIKey is BGEFNNHPJNQXAI-QUCCMNQESA-N. The full InChI is InChI=1S/C25H29N5O/c1-14(2)22-19-13-17(24-29-30-25(31-24)18-6-4-5-7-20(18)26)8-9-21(19)28-23(22)16-10-11-27-15(3)12-16/h8-14,18,20,28H,4-7,26H2,1-3H3/t18-,20+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine?
cis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine has a molecular weight of 415.54 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 154640010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).