N-[(1S)-3-[3-[4-(1H-indol-6-yl)phenyl]-1,2,4-triazol-4-yl]cyclopentyl]propanamide

C24H25N5O — CID 144782203

IUPACN-[(1S)-3-[3-[4-(1H-indol-6-yl)phenyl]-1,2,4-triazol-4-yl]cyclopentyl]propanamide
SMILESCCC(=O)N[C@H]1CCC(n2cnnc2-c2ccc(-c3ccc4cc[nH]c4c3)cc2)C1
InChIInChI=1S/C24H25N5O/c1-2-23(30)27-20-9-10-21(14-20)29-15-26-28-24(29)18-6-3-16(4-7-18)19-8-5-17-11-12-25-22(17)13-19/h3-8,11-13,15,20-21,25H,2,9-10,14H2,1H3,(H,27,30)/t20-,21?/m0/s1
InChIKeyHVUYLDDCFNFOFW-BGERDNNASA-N
MW399.50 g/mol
LogP4.71
Rot. Bonds5

About N-[(1S)-3-[3-[4-(1H-indol-6-yl)phenyl]-1,2,4-triazol-4-yl]cyclopentyl]propanamide

N-[(1S)-3-[3-[4-(1H-indol-6-yl)phenyl]-1,2,4-triazol-4-yl]cyclopentyl]propanamide (PubChem CID 144782203) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[(1S)-3-[3-[4-(1H-indol-6-yl)phenyl]-1,2,4-triazol-4-yl]cyclopentyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-3-[3-[4-(1H-indol-6-yl)phenyl]-1,2,4-triazol-4-yl]cyclopentyl]propanamide
PubChem CID144782203
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-[(1S)-3-[3-[4-(1H-indol-6-yl)phenyl]-1,2,4-triazol-4-yl]cyclopentyl]propanamide
SMILESCCC(=O)N[C@H]1CCC(n2cnnc2-c2ccc(-c3ccc4cc[nH]c4c3)cc2)C1
InChIInChI=1S/C24H25N5O/c1-2-23(30)27-20-9-10-21(14-20)29-15-26-28-24(29)18-6-3-16(4-7-18)19-8-5-17-11-12-25-22(17)13-19/h3-8,11-13,15,20-21,25H,2,9-10,14H2,1H3,(H,27,30)/t20-,21?/m0/s1
InChIKeyHVUYLDDCFNFOFW-BGERDNNASA-N
XLogP4.71
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[3-[4-(1H-indol-6-yl)phenyl]-1,2,4-triazol-4-yl]cyclopentyl]propanamide?
The IUPAC name of N-[(1S)-3-[3-[4-(1H-indol-6-yl)phenyl]-1,2,4-triazol-4-yl]cyclopentyl]propanamide (CID 144782203) is N-[(1S)-3-[3-[4-(1H-indol-6-yl)phenyl]-1,2,4-triazol-4-yl]cyclopentyl]propanamide.
What is the SMILES notation for N-[(1S)-3-[3-[4-(1H-indol-6-yl)phenyl]-1,2,4-triazol-4-yl]cyclopentyl]propanamide?
The canonical SMILES for N-[(1S)-3-[3-[4-(1H-indol-6-yl)phenyl]-1,2,4-triazol-4-yl]cyclopentyl]propanamide is CCC(=O)N[C@H]1CCC(n2cnnc2-c2ccc(-c3ccc4cc[nH]c4c3)cc2)C1.
What is the InChIKey of N-[(1S)-3-[3-[4-(1H-indol-6-yl)phenyl]-1,2,4-triazol-4-yl]cyclopentyl]propanamide?
The InChIKey is HVUYLDDCFNFOFW-BGERDNNASA-N. The full InChI is InChI=1S/C24H25N5O/c1-2-23(30)27-20-9-10-21(14-20)29-15-26-28-24(29)18-6-3-16(4-7-18)19-8-5-17-11-12-25-22(17)13-19/h3-8,11-13,15,20-21,25H,2,9-10,14H2,1H3,(H,27,30)/t20-,21?/m0/s1.
What are the key properties of N-[(1S)-3-[3-[4-(1H-indol-6-yl)phenyl]-1,2,4-triazol-4-yl]cyclopentyl]propanamide?
N-[(1S)-3-[3-[4-(1H-indol-6-yl)phenyl]-1,2,4-triazol-4-yl]cyclopentyl]propanamide has a molecular weight of 399.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[3-[4-(1H-indol-6-yl)phenyl]-1,2,4-triazol-4-yl]cyclopentyl]propanamide is sourced from PubChem (CID 144782203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).