N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]-1-phenylcyclopropane-1-carboxamide

C28H24N6O2 — CID 135351078

IUPACN-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C1c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2CN1c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C28H24N6O2/c35-26-22-12-9-20(30-27(36)28(13-14-28)19-5-2-1-3-6-19)15-18(22)16-33(26)24-8-4-7-23(31-24)25-32-29-17-34(25)21-10-11-21/h1-9,12,15,17,21H,10-11,13-14,16H2,(H,30,36)
InChIKeyITPXVPCADUSIIZ-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.51
Rot. Bonds6

About N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]-1-phenylcyclopropane-1-carboxamide

N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 135351078) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID135351078
Molecular FormulaC28H24N6O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC NameN-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C1c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2CN1c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C28H24N6O2/c35-26-22-12-9-20(30-27(36)28(13-14-28)19-5-2-1-3-6-19)15-18(22)16-33(26)24-8-4-7-23(31-24)25-32-29-17-34(25)21-10-11-21/h1-9,12,15,17,21H,10-11,13-14,16H2,(H,30,36)
InChIKeyITPXVPCADUSIIZ-UHFFFAOYSA-N
XLogP4.51
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]-1-phenylcyclopropane-1-carboxamide (CID 135351078) is N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]-1-phenylcyclopropane-1-carboxamide is O=C1c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2CN1c1cccc(-c2nncn2C2CC2)n1.
What is the InChIKey of N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is ITPXVPCADUSIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c35-26-22-12-9-20(30-27(36)28(13-14-28)19-5-2-1-3-6-19)15-18(22)16-33(26)24-8-4-7-23(31-24)25-32-29-17-34(25)21-10-11-21/h1-9,12,15,17,21H,10-11,13-14,16H2,(H,30,36).
What are the key properties of N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]-1-phenylcyclopropane-1-carboxamide?
N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 135351078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).