(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide

C24H35F2N5O2 — CID 59429509

IUPAC(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide
SMILESCCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(CCNCCCOC)cn1
InChIInChI=1S/C24H35F2N5O2/c1-3-5-22(29-19-7-6-17-12-18(25)13-21(26)20(17)14-19)24(32)30-23-15-31(16-28-23)10-9-27-8-4-11-33-2/h12-13,15-16,19,22,27,29H,3-11,14H2,1-2H3,(H,30,32)/t19-,22-/m0/s1
InChIKeyFIAOEHFZPNWTOI-UGKGYDQZSA-N
MW463.57 g/mol
LogP3.04
Rot. Bonds13

About (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide

(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide (PubChem CID 59429509) has the molecular formula C24H35F2N5O2 and a molecular weight of 463.57 g/mol. Its IUPAC name is (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide
PubChem CID59429509
Molecular FormulaC24H35F2N5O2
Molecular Weight463.57 g/mol
Exact Mass463.28
IUPAC Name(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide
SMILESCCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(CCNCCCOC)cn1
InChIInChI=1S/C24H35F2N5O2/c1-3-5-22(29-19-7-6-17-12-18(25)13-21(26)20(17)14-19)24(32)30-23-15-31(16-28-23)10-9-27-8-4-11-33-2/h12-13,15-16,19,22,27,29H,3-11,14H2,1-2H3,(H,30,32)/t19-,22-/m0/s1
InChIKeyFIAOEHFZPNWTOI-UGKGYDQZSA-N
XLogP3.04
TPSA80.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide?
The IUPAC name of (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide (CID 59429509) is (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide.
What is the SMILES notation for (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide?
The canonical SMILES for (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide is CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(CCNCCCOC)cn1.
What is the InChIKey of (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide?
The InChIKey is FIAOEHFZPNWTOI-UGKGYDQZSA-N. The full InChI is InChI=1S/C24H35F2N5O2/c1-3-5-22(29-19-7-6-17-12-18(25)13-21(26)20(17)14-19)24(32)30-23-15-31(16-28-23)10-9-27-8-4-11-33-2/h12-13,15-16,19,22,27,29H,3-11,14H2,1-2H3,(H,30,32)/t19-,22-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide?
(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide has a molecular weight of 463.57 g/mol, XLogP of 3.04, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide is sourced from PubChem (CID 59429509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).