3-[4-cyclopropyl-5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide

C27H26N4O — CID 74222013

IUPAC3-[4-cyclopropyl-5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
SMILESO=C(CCc1nnc(C2Cc3ccccc3C2)n1C1CC1)Nc1cccc2ccccc12
InChIInChI=1S/C27H26N4O/c32-26(28-24-11-5-9-18-6-3-4-10-23(18)24)15-14-25-29-30-27(31(25)22-12-13-22)21-16-19-7-1-2-8-20(19)17-21/h1-11,21-22H,12-17H2,(H,28,32)
InChIKeyVFQIDDJXNWSJCL-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.22
Rot. Bonds6

About 3-[4-cyclopropyl-5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide

3-[4-cyclopropyl-5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide (PubChem CID 74222013) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
PubChem CID74222013
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name3-[4-cyclopropyl-5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
SMILESO=C(CCc1nnc(C2Cc3ccccc3C2)n1C1CC1)Nc1cccc2ccccc12
InChIInChI=1S/C27H26N4O/c32-26(28-24-11-5-9-18-6-3-4-10-23(18)24)15-14-25-29-30-27(31(25)22-12-13-22)21-16-19-7-1-2-8-20(19)17-21/h1-11,21-22H,12-17H2,(H,28,32)
InChIKeyVFQIDDJXNWSJCL-UHFFFAOYSA-N
XLogP5.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-[4-cyclopropyl-5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide (CID 74222013) is 3-[4-cyclopropyl-5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-[4-cyclopropyl-5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-[4-cyclopropyl-5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide is O=C(CCc1nnc(C2Cc3ccccc3C2)n1C1CC1)Nc1cccc2ccccc12.
What is the InChIKey of 3-[4-cyclopropyl-5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide?
The InChIKey is VFQIDDJXNWSJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c32-26(28-24-11-5-9-18-6-3-4-10-23(18)24)15-14-25-29-30-27(31(25)22-12-13-22)21-16-19-7-1-2-8-20(19)17-21/h1-11,21-22H,12-17H2,(H,28,32).
What are the key properties of 3-[4-cyclopropyl-5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide?
3-[4-cyclopropyl-5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide has a molecular weight of 422.53 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 74222013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).